USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 823 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 MET CE :methyl -159:sc= 0 (180deg=-0.816) USER MOD Set 1.2: A 97 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ 161:sc= -0.0542 (180deg=-0.554) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.5) USER MOD Single : A 20 HIS : no HD1:sc= -2.63! K(o=-2.6!,f=-2.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.039) USER MOD Single : A 34 GLN : amide:sc= 0.413 K(o=0.41,f=-5.7!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -77:sc= 0.414 USER MOD Single : A 40 ASN : amide:sc= -0.433 K(o=-0.43,f=-5.3!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.164 USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= 1.22 (180deg=0.81) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0.342 (180deg=0.32) USER MOD Single : A 53 SER OG : rot 25:sc= 0.951 USER MOD Single : A 54 ASN : amide:sc= 0.396 X(o=0.4,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00949 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 36:sc= -0.755 USER MOD Single : A 62 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.8!) USER MOD Single : A 75 HIS : no HE2:sc= -2.66 K(o=-2.7,f=-5.3!) USER MOD Single : A 76 SER OG : rot -131:sc= 0.53 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0507 USER MOD Single : A 79 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.054) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc=-0.00374 K(o=-0.0037,f=-0.53) USER MOD Single : A 91 LYS NZ :NH3+ -148:sc= 0.61 (180deg=0.29) USER MOD Single : A 92 THR OG1 : rot -157:sc= -0.723 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 99 GLN : amide:sc= -0.078 X(o=-0.078,f=-0.078) USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0398) USER MOD Single : A 105 ASN : amide:sc= -0.0754 K(o=-0.075,f=-0.78) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.751 8.371 2.068 1.00 17.28 N ATOM 2 CA GLY A 1 6.109 8.551 2.605 1.00 18.58 C ATOM 3 C GLY A 1 6.688 9.873 2.134 1.00 18.80 C ATOM 4 O GLY A 1 7.382 9.886 1.127 1.00 19.60 O ATOM 0 H1 GLY A 1 4.490 7.365 2.115 1.00 17.28 H new ATOM 0 H2 GLY A 1 4.078 8.930 2.631 1.00 17.28 H new ATOM 0 H3 GLY A 1 4.724 8.690 1.079 1.00 17.28 H new ATOM 0 HA2 GLY A 1 6.084 8.524 3.694 1.00 18.58 H new ATOM 0 HA3 GLY A 1 6.748 7.730 2.281 1.00 18.58 H new ATOM 10 N SER A 2 6.392 10.982 2.816 1.00 18.26 N ATOM 11 CA SER A 2 6.950 12.281 2.461 1.00 18.59 C ATOM 12 C SER A 2 6.826 13.216 3.664 1.00 18.50 C ATOM 13 O SER A 2 6.141 12.869 4.627 1.00 18.81 O ATOM 14 CB SER A 2 6.220 12.848 1.237 1.00 18.16 C ATOM 15 OG SER A 2 7.171 13.434 0.377 1.00 19.13 O ATOM 0 H SER A 2 5.765 11.002 3.621 1.00 18.26 H new ATOM 0 HA SER A 2 8.004 12.180 2.200 1.00 18.59 H new ATOM 0 HB2 SER A 2 5.679 12.056 0.719 1.00 18.16 H new ATOM 0 HB3 SER A 2 5.482 13.589 1.546 1.00 18.16 H new ATOM 0 HG SER A 2 6.718 13.799 -0.411 1.00 19.13 H new ATOM 21 N LYS A 3 7.501 14.369 3.631 1.00 18.26 N ATOM 22 CA LYS A 3 7.424 15.421 4.646 1.00 18.20 C ATOM 23 C LYS A 3 8.108 16.667 4.079 1.00 17.61 C ATOM 24 O LYS A 3 8.918 16.531 3.165 1.00 17.77 O ATOM 25 CB LYS A 3 8.116 14.973 5.945 1.00 19.51 C ATOM 26 CG LYS A 3 9.638 14.835 5.784 1.00 21.15 C ATOM 27 CD LYS A 3 10.222 13.718 6.653 1.00 22.67 C ATOM 28 CE LYS A 3 9.829 12.359 6.060 1.00 22.89 C ATOM 29 NZ LYS A 3 10.605 11.250 6.657 1.00 24.51 N ATOM 0 H LYS A 3 8.138 14.603 2.869 1.00 18.26 H new ATOM 0 HA LYS A 3 6.383 15.636 4.887 1.00 18.20 H new ATOM 0 HB2 LYS A 3 7.901 15.693 6.734 1.00 19.51 H new ATOM 0 HB3 LYS A 3 7.700 14.017 6.264 1.00 19.51 H new ATOM 0 HG2 LYS A 3 9.873 14.637 4.738 1.00 21.15 H new ATOM 0 HG3 LYS A 3 10.115 15.780 6.044 1.00 21.15 H new ATOM 0 HD2 LYS A 3 11.307 13.807 6.700 1.00 22.67 H new ATOM 0 HD3 LYS A 3 9.851 13.804 7.674 1.00 22.67 H new ATOM 0 HE2 LYS A 3 8.765 12.186 6.223 1.00 22.89 H new ATOM 0 HE3 LYS A 3 9.988 12.374 4.982 1.00 22.89 H new ATOM 0 HZ1 LYS A 3 10.309 10.349 6.229 1.00 24.51 H new ATOM 0 HZ2 LYS A 3 11.619 11.401 6.480 1.00 24.51 H new ATOM 0 HZ3 LYS A 3 10.434 11.219 7.682 1.00 24.51 H new ATOM 43 N GLY A 4 7.829 17.856 4.612 1.00 17.15 N ATOM 44 CA GLY A 4 8.503 19.073 4.184 1.00 16.77 C ATOM 45 C GLY A 4 7.499 20.199 4.067 1.00 15.61 C ATOM 46 O GLY A 4 6.719 20.419 4.989 1.00 15.68 O ATOM 0 H GLY A 4 7.135 17.999 5.346 1.00 17.15 H new ATOM 0 HA2 GLY A 4 9.281 19.340 4.899 1.00 16.77 H new ATOM 0 HA3 GLY A 4 8.994 18.910 3.225 1.00 16.77 H new ATOM 50 N VAL A 5 7.541 20.909 2.939 1.00 14.79 N ATOM 51 CA VAL A 5 6.554 21.911 2.600 1.00 13.59 C ATOM 52 C VAL A 5 5.240 21.228 2.221 1.00 11.47 C ATOM 53 O VAL A 5 5.025 20.066 2.554 1.00 11.10 O ATOM 54 CB VAL A 5 7.103 22.814 1.485 1.00 13.84 C ATOM 55 CG1 VAL A 5 8.406 23.479 1.943 1.00 15.98 C ATOM 56 CG2 VAL A 5 7.363 22.090 0.156 1.00 13.33 C ATOM 0 H VAL A 5 8.271 20.797 2.235 1.00 14.79 H new ATOM 0 HA VAL A 5 6.345 22.551 3.458 1.00 13.59 H new ATOM 0 HB VAL A 5 6.323 23.551 1.297 1.00 13.84 H new ATOM 0 HG11 VAL A 5 8.788 24.117 1.146 1.00 15.98 H new ATOM 0 HG12 VAL A 5 8.214 24.082 2.831 1.00 15.98 H new ATOM 0 HG13 VAL A 5 9.143 22.711 2.178 1.00 15.98 H new ATOM 0 HG21 VAL A 5 7.749 22.800 -0.576 1.00 13.33 H new ATOM 0 HG22 VAL A 5 8.093 21.296 0.311 1.00 13.33 H new ATOM 0 HG23 VAL A 5 6.432 21.660 -0.212 1.00 13.33 H new ATOM 66 N GLU A 6 4.338 21.925 1.532 1.00 10.21 N ATOM 67 CA GLU A 6 3.104 21.303 1.096 1.00 8.19 C ATOM 68 C GLU A 6 3.311 20.474 -0.165 1.00 7.24 C ATOM 69 O GLU A 6 3.742 20.974 -1.200 1.00 7.54 O ATOM 70 CB GLU A 6 1.998 22.357 0.937 1.00 7.91 C ATOM 71 CG GLU A 6 2.268 23.382 -0.176 1.00 8.61 C ATOM 72 CD GLU A 6 1.303 24.560 -0.075 1.00 8.88 C ATOM 73 OE1 GLU A 6 0.190 24.436 -0.632 1.00 8.58 O ATOM 74 OE2 GLU A 6 1.691 25.559 0.570 1.00 9.90 O ATOM 0 H GLU A 6 4.442 22.905 1.270 1.00 10.21 H new ATOM 0 HA GLU A 6 2.777 20.605 1.867 1.00 8.19 H new ATOM 0 HB2 GLU A 6 1.055 21.851 0.730 1.00 7.91 H new ATOM 0 HB3 GLU A 6 1.875 22.886 1.882 1.00 7.91 H new ATOM 0 HG2 GLU A 6 3.295 23.740 -0.105 1.00 8.61 H new ATOM 0 HG3 GLU A 6 2.164 22.904 -1.150 1.00 8.61 H new ATOM 81 N LEU A 7 2.984 19.183 -0.074 1.00 6.56 N ATOM 82 CA LEU A 7 3.190 18.216 -1.137 1.00 6.52 C ATOM 83 C LEU A 7 1.835 17.597 -1.477 1.00 5.12 C ATOM 84 O LEU A 7 1.741 16.416 -1.792 1.00 5.80 O ATOM 85 CB LEU A 7 4.190 17.151 -0.662 1.00 8.06 C ATOM 86 CG LEU A 7 5.282 17.712 0.265 1.00 9.57 C ATOM 87 CD1 LEU A 7 5.944 16.597 1.040 1.00 10.84 C ATOM 88 CD2 LEU A 7 6.302 18.583 -0.461 1.00 11.05 C ATOM 0 H LEU A 7 2.560 18.779 0.761 1.00 6.56 H new ATOM 0 HA LEU A 7 3.602 18.687 -2.030 1.00 6.52 H new ATOM 0 HB2 LEU A 7 3.649 16.362 -0.139 1.00 8.06 H new ATOM 0 HB3 LEU A 7 4.661 16.692 -1.531 1.00 8.06 H new ATOM 0 HG LEU A 7 4.786 18.377 0.972 1.00 9.57 H new ATOM 0 HD11 LEU A 7 6.714 17.013 1.690 1.00 10.84 H new ATOM 0 HD12 LEU A 7 5.198 16.081 1.645 1.00 10.84 H new ATOM 0 HD13 LEU A 7 6.399 15.891 0.345 1.00 10.84 H new ATOM 0 HD21 LEU A 7 7.043 18.946 0.251 1.00 11.05 H new ATOM 0 HD22 LEU A 7 6.798 17.995 -1.233 1.00 11.05 H new ATOM 0 HD23 LEU A 7 5.795 19.431 -0.920 1.00 11.05 H new ATOM 100 N ARG A 8 0.777 18.409 -1.381 1.00 3.72 N ATOM 101 CA ARG A 8 -0.616 17.990 -1.520 1.00 2.87 C ATOM 102 C ARG A 8 -1.034 17.038 -0.399 1.00 2.41 C ATOM 103 O ARG A 8 -1.748 16.075 -0.652 1.00 2.01 O ATOM 104 CB ARG A 8 -0.878 17.373 -2.906 1.00 4.11 C ATOM 105 CG ARG A 8 -0.390 18.269 -4.046 1.00 4.97 C ATOM 106 CD ARG A 8 -0.741 17.623 -5.390 1.00 6.22 C ATOM 107 NE ARG A 8 -0.638 18.591 -6.490 1.00 6.86 N ATOM 108 CZ ARG A 8 -0.920 18.329 -7.772 1.00 8.28 C ATOM 109 NH1 ARG A 8 -1.216 17.085 -8.151 1.00 9.38 N ATOM 110 NH2 ARG A 8 -0.913 19.314 -8.671 1.00 9.08 N ATOM 0 H ARG A 8 0.873 19.408 -1.198 1.00 3.72 H new ATOM 0 HA ARG A 8 -1.234 18.883 -1.433 1.00 2.87 H new ATOM 0 HB2 ARG A 8 -0.380 16.405 -2.970 1.00 4.11 H new ATOM 0 HB3 ARG A 8 -1.946 17.190 -3.023 1.00 4.11 H new ATOM 0 HG2 ARG A 8 -0.852 19.254 -3.972 1.00 4.97 H new ATOM 0 HG3 ARG A 8 0.687 18.416 -3.971 1.00 4.97 H new ATOM 0 HD2 ARG A 8 -0.072 16.783 -5.578 1.00 6.22 H new ATOM 0 HD3 ARG A 8 -1.754 17.221 -5.350 1.00 6.22 H new ATOM 0 HE ARG A 8 -0.328 19.535 -6.259 1.00 6.86 H new ATOM 0 HH11 ARG A 8 -1.228 16.332 -7.464 1.00 9.38 H new ATOM 0 HH12 ARG A 8 -1.431 16.887 -9.128 1.00 9.38 H new ATOM 0 HH21 ARG A 8 -0.693 20.267 -8.382 1.00 9.08 H new ATOM 0 HH22 ARG A 8 -1.128 19.114 -9.648 1.00 9.08 H new ATOM 124 N ASN A 9 -0.667 17.347 0.848 1.00 2.55 N ATOM 125 CA ASN A 9 -1.011 16.561 2.036 1.00 2.31 C ATOM 126 C ASN A 9 -2.475 16.179 2.112 1.00 1.91 C ATOM 127 O ASN A 9 -2.773 15.065 2.522 1.00 1.71 O ATOM 128 CB ASN A 9 -0.650 17.338 3.312 1.00 2.73 C ATOM 129 CG ASN A 9 0.752 17.022 3.804 1.00 3.09 C ATOM 130 OD1 ASN A 9 1.671 16.871 3.009 1.00 3.77 O ATOM 131 ND2 ASN A 9 0.943 16.935 5.115 1.00 3.03 N ATOM 0 H ASN A 9 -0.108 18.172 1.065 1.00 2.55 H new ATOM 0 HA ASN A 9 -0.432 15.641 1.955 1.00 2.31 H new ATOM 0 HB2 ASN A 9 -0.732 18.408 3.119 1.00 2.73 H new ATOM 0 HB3 ASN A 9 -1.370 17.100 4.095 1.00 2.73 H new ATOM 0 HD21 ASN A 9 1.874 16.738 5.483 1.00 3.03 H new ATOM 0 HD22 ASN A 9 0.159 17.065 5.754 1.00 3.03 H new ATOM 138 N ASP A 10 -3.381 17.093 1.781 1.00 1.87 N ATOM 139 CA ASP A 10 -4.805 16.791 1.802 1.00 1.53 C ATOM 140 C ASP A 10 -5.106 15.600 0.890 1.00 1.06 C ATOM 141 O ASP A 10 -5.697 14.611 1.318 1.00 0.88 O ATOM 142 CB ASP A 10 -5.570 18.042 1.385 1.00 1.81 C ATOM 143 CG ASP A 10 -7.065 17.757 1.311 1.00 1.59 C ATOM 144 OD1 ASP A 10 -7.669 17.632 2.398 1.00 1.63 O ATOM 145 OD2 ASP A 10 -7.570 17.668 0.171 1.00 2.45 O ATOM 0 H ASP A 10 -3.154 18.046 1.496 1.00 1.87 H new ATOM 0 HA ASP A 10 -5.122 16.508 2.806 1.00 1.53 H new ATOM 0 HB2 ASP A 10 -5.382 18.844 2.099 1.00 1.81 H new ATOM 0 HB3 ASP A 10 -5.212 18.387 0.415 1.00 1.81 H new ATOM 150 N SER A 11 -4.628 15.657 -0.352 1.00 1.14 N ATOM 151 CA SER A 11 -4.814 14.590 -1.319 1.00 1.00 C ATOM 152 C SER A 11 -4.137 13.306 -0.862 1.00 0.72 C ATOM 153 O SER A 11 -4.753 12.247 -0.885 1.00 0.64 O ATOM 154 CB SER A 11 -4.229 15.006 -2.664 1.00 1.52 C ATOM 155 OG SER A 11 -4.960 16.088 -3.199 1.00 1.74 O ATOM 0 H SER A 11 -4.099 16.451 -0.712 1.00 1.14 H new ATOM 0 HA SER A 11 -5.884 14.407 -1.413 1.00 1.00 H new ATOM 0 HB2 SER A 11 -3.183 15.289 -2.542 1.00 1.52 H new ATOM 0 HB3 SER A 11 -4.253 14.164 -3.356 1.00 1.52 H new ATOM 0 HG SER A 11 -4.575 16.348 -4.062 1.00 1.74 H new ATOM 161 N GLU A 12 -2.855 13.368 -0.500 1.00 0.81 N ATOM 162 CA GLU A 12 -2.078 12.196 -0.126 1.00 0.71 C ATOM 163 C GLU A 12 -2.714 11.492 1.072 1.00 0.58 C ATOM 164 O GLU A 12 -2.706 10.264 1.167 1.00 0.60 O ATOM 165 CB GLU A 12 -0.646 12.602 0.231 1.00 0.89 C ATOM 166 CG GLU A 12 0.219 12.928 -0.993 1.00 2.30 C ATOM 167 CD GLU A 12 1.672 12.554 -0.692 1.00 2.77 C ATOM 168 OE1 GLU A 12 2.221 13.020 0.334 1.00 2.97 O ATOM 169 OE2 GLU A 12 2.162 11.593 -1.332 1.00 3.85 O ATOM 0 H GLU A 12 -2.328 14.240 -0.459 1.00 0.81 H new ATOM 0 HA GLU A 12 -2.062 11.514 -0.976 1.00 0.71 H new ATOM 0 HB2 GLU A 12 -0.676 13.472 0.887 1.00 0.89 H new ATOM 0 HB3 GLU A 12 -0.177 11.795 0.793 1.00 0.89 H new ATOM 0 HG2 GLU A 12 -0.138 12.378 -1.864 1.00 2.30 H new ATOM 0 HG3 GLU A 12 0.146 13.989 -1.234 1.00 2.30 H new ATOM 176 N GLY A 13 -3.253 12.281 1.997 1.00 0.63 N ATOM 177 CA GLY A 13 -4.048 11.771 3.102 1.00 0.67 C ATOM 178 C GLY A 13 -5.262 11.010 2.573 1.00 0.57 C ATOM 179 O GLY A 13 -5.424 9.819 2.830 1.00 0.62 O ATOM 0 H GLY A 13 -3.148 13.296 1.998 1.00 0.63 H new ATOM 0 HA2 GLY A 13 -3.440 11.113 3.723 1.00 0.67 H new ATOM 0 HA3 GLY A 13 -4.375 12.596 3.735 1.00 0.67 H new ATOM 183 N PHE A 14 -6.104 11.690 1.798 1.00 0.52 N ATOM 184 CA PHE A 14 -7.377 11.169 1.326 1.00 0.56 C ATOM 185 C PHE A 14 -7.199 9.843 0.582 1.00 0.49 C ATOM 186 O PHE A 14 -7.852 8.849 0.890 1.00 0.56 O ATOM 187 CB PHE A 14 -8.040 12.241 0.452 1.00 0.64 C ATOM 188 CG PHE A 14 -9.514 12.017 0.197 1.00 0.88 C ATOM 189 CD1 PHE A 14 -10.419 12.092 1.271 1.00 1.99 C ATOM 190 CD2 PHE A 14 -9.992 11.791 -1.107 1.00 1.91 C ATOM 191 CE1 PHE A 14 -11.797 11.943 1.045 1.00 2.25 C ATOM 192 CE2 PHE A 14 -11.373 11.652 -1.335 1.00 2.30 C ATOM 193 CZ PHE A 14 -12.275 11.726 -0.259 1.00 1.89 C ATOM 0 H PHE A 14 -5.913 12.639 1.476 1.00 0.52 H new ATOM 0 HA PHE A 14 -8.025 10.948 2.174 1.00 0.56 H new ATOM 0 HB2 PHE A 14 -7.910 13.212 0.929 1.00 0.64 H new ATOM 0 HB3 PHE A 14 -7.521 12.284 -0.505 1.00 0.64 H new ATOM 0 HD1 PHE A 14 -10.053 12.265 2.272 1.00 1.99 H new ATOM 0 HD2 PHE A 14 -9.299 11.724 -1.932 1.00 1.91 H new ATOM 0 HE1 PHE A 14 -12.489 11.995 1.873 1.00 2.25 H new ATOM 0 HE2 PHE A 14 -11.741 11.488 -2.337 1.00 2.30 H new ATOM 0 HZ PHE A 14 -13.335 11.616 -0.434 1.00 1.89 H new ATOM 203 N ILE A 15 -6.295 9.800 -0.396 1.00 0.37 N ATOM 204 CA ILE A 15 -6.029 8.586 -1.154 1.00 0.37 C ATOM 205 C ILE A 15 -5.408 7.492 -0.282 1.00 0.33 C ATOM 206 O ILE A 15 -5.636 6.313 -0.547 1.00 0.36 O ATOM 207 CB ILE A 15 -5.157 8.854 -2.378 1.00 0.35 C ATOM 208 CG1 ILE A 15 -3.750 9.266 -1.934 1.00 0.29 C ATOM 209 CG2 ILE A 15 -5.842 9.856 -3.309 1.00 0.43 C ATOM 210 CD1 ILE A 15 -3.062 10.227 -2.889 1.00 0.44 C ATOM 0 H ILE A 15 -5.732 10.601 -0.681 1.00 0.37 H new ATOM 0 HA ILE A 15 -6.996 8.227 -1.505 1.00 0.37 H new ATOM 0 HB ILE A 15 -5.035 7.944 -2.965 1.00 0.35 H new ATOM 0 HG12 ILE A 15 -3.811 9.729 -0.949 1.00 0.29 H new ATOM 0 HG13 ILE A 15 -3.136 8.372 -1.828 1.00 0.29 H new ATOM 0 HG21 ILE A 15 -5.209 10.038 -4.177 1.00 0.43 H new ATOM 0 HG22 ILE A 15 -6.800 9.452 -3.637 1.00 0.43 H new ATOM 0 HG23 ILE A 15 -6.006 10.793 -2.777 1.00 0.43 H new ATOM 0 HD11 ILE A 15 -2.071 10.472 -2.507 1.00 0.44 H new ATOM 0 HD12 ILE A 15 -2.968 9.760 -3.870 1.00 0.44 H new ATOM 0 HD13 ILE A 15 -3.653 11.139 -2.976 1.00 0.44 H new ATOM 222 N HIS A 16 -4.604 7.849 0.732 1.00 0.31 N ATOM 223 CA HIS A 16 -4.063 6.842 1.636 1.00 0.31 C ATOM 224 C HIS A 16 -5.253 6.118 2.261 1.00 0.37 C ATOM 225 O HIS A 16 -5.339 4.894 2.229 1.00 0.39 O ATOM 226 CB HIS A 16 -3.132 7.479 2.693 1.00 0.36 C ATOM 227 CG HIS A 16 -2.744 6.629 3.893 1.00 0.33 C ATOM 228 ND1 HIS A 16 -1.458 6.255 4.241 1.00 0.43 N ATOM 229 CD2 HIS A 16 -3.563 6.275 4.934 1.00 0.49 C ATOM 230 CE1 HIS A 16 -1.501 5.682 5.463 1.00 0.42 C ATOM 231 NE2 HIS A 16 -2.772 5.683 5.905 1.00 0.49 N ATOM 0 H HIS A 16 -4.323 8.808 0.938 1.00 0.31 H new ATOM 0 HA HIS A 16 -3.440 6.127 1.099 1.00 0.31 H new ATOM 0 HB2 HIS A 16 -2.216 7.789 2.191 1.00 0.36 H new ATOM 0 HB3 HIS A 16 -3.614 8.384 3.064 1.00 0.36 H new ATOM 0 HD2 HIS A 16 -4.631 6.430 4.987 1.00 0.49 H new ATOM 0 HE1 HIS A 16 -0.651 5.286 6.000 1.00 0.42 H new ATOM 0 HE2 HIS A 16 -3.096 5.313 6.798 1.00 0.49 H new ATOM 240 N GLU A 17 -6.186 6.883 2.828 1.00 0.43 N ATOM 241 CA GLU A 17 -7.380 6.332 3.448 1.00 0.50 C ATOM 242 C GLU A 17 -8.176 5.489 2.455 1.00 0.51 C ATOM 243 O GLU A 17 -8.614 4.405 2.822 1.00 0.59 O ATOM 244 CB GLU A 17 -8.225 7.444 4.076 1.00 0.55 C ATOM 245 CG GLU A 17 -7.491 8.024 5.288 1.00 0.67 C ATOM 246 CD GLU A 17 -8.334 9.088 5.987 1.00 1.09 C ATOM 247 OE1 GLU A 17 -9.294 8.684 6.679 1.00 1.85 O ATOM 248 OE2 GLU A 17 -8.001 10.283 5.824 1.00 2.01 O ATOM 0 H GLU A 17 -6.131 7.901 2.868 1.00 0.43 H new ATOM 0 HA GLU A 17 -7.076 5.664 4.254 1.00 0.50 H new ATOM 0 HB2 GLU A 17 -8.415 8.228 3.343 1.00 0.55 H new ATOM 0 HB3 GLU A 17 -9.195 7.050 4.380 1.00 0.55 H new ATOM 0 HG2 GLU A 17 -7.255 7.224 5.990 1.00 0.67 H new ATOM 0 HG3 GLU A 17 -6.544 8.459 4.969 1.00 0.67 H new ATOM 255 N PHE A 18 -8.321 5.926 1.200 1.00 0.49 N ATOM 256 CA PHE A 18 -8.981 5.146 0.151 1.00 0.54 C ATOM 257 C PHE A 18 -8.408 3.743 0.049 1.00 0.48 C ATOM 258 O PHE A 18 -9.178 2.787 0.003 1.00 0.49 O ATOM 259 CB PHE A 18 -8.888 5.852 -1.207 1.00 0.57 C ATOM 260 CG PHE A 18 -10.198 6.416 -1.705 1.00 0.96 C ATOM 261 CD1 PHE A 18 -10.681 7.634 -1.190 1.00 2.47 C ATOM 262 CD2 PHE A 18 -10.936 5.724 -2.682 1.00 1.48 C ATOM 263 CE1 PHE A 18 -11.902 8.151 -1.653 1.00 3.04 C ATOM 264 CE2 PHE A 18 -12.154 6.247 -3.149 1.00 1.81 C ATOM 265 CZ PHE A 18 -12.637 7.462 -2.633 1.00 2.26 C ATOM 0 H PHE A 18 -7.982 6.834 0.883 1.00 0.49 H new ATOM 0 HA PHE A 18 -10.031 5.064 0.430 1.00 0.54 H new ATOM 0 HB2 PHE A 18 -8.162 6.661 -1.134 1.00 0.57 H new ATOM 0 HB3 PHE A 18 -8.506 5.147 -1.945 1.00 0.57 H new ATOM 0 HD1 PHE A 18 -10.115 8.169 -0.442 1.00 2.47 H new ATOM 0 HD2 PHE A 18 -10.566 4.788 -3.074 1.00 1.48 H new ATOM 0 HE1 PHE A 18 -12.278 9.082 -1.254 1.00 3.04 H new ATOM 0 HE2 PHE A 18 -12.717 5.717 -3.902 1.00 1.81 H new ATOM 0 HZ PHE A 18 -13.573 7.866 -2.990 1.00 2.26 H new ATOM 275 N GLY A 19 -7.079 3.600 0.026 1.00 0.44 N ATOM 276 CA GLY A 19 -6.467 2.277 0.053 1.00 0.42 C ATOM 277 C GLY A 19 -7.090 1.422 1.156 1.00 0.38 C ATOM 278 O GLY A 19 -7.553 0.307 0.924 1.00 0.36 O ATOM 0 H GLY A 19 -6.418 4.376 -0.011 1.00 0.44 H new ATOM 0 HA2 GLY A 19 -6.599 1.789 -0.912 1.00 0.42 H new ATOM 0 HA3 GLY A 19 -5.394 2.370 0.219 1.00 0.42 H new ATOM 282 N HIS A 20 -7.163 1.980 2.363 1.00 0.39 N ATOM 283 CA HIS A 20 -7.752 1.308 3.506 1.00 0.38 C ATOM 284 C HIS A 20 -9.234 1.000 3.283 1.00 0.36 C ATOM 285 O HIS A 20 -9.707 -0.064 3.668 1.00 0.42 O ATOM 286 CB HIS A 20 -7.541 2.176 4.755 1.00 0.48 C ATOM 287 CG HIS A 20 -7.394 1.388 6.026 1.00 0.64 C ATOM 288 ND1 HIS A 20 -6.420 1.590 6.985 1.00 0.55 N ATOM 289 CD2 HIS A 20 -8.179 0.342 6.424 1.00 1.74 C ATOM 290 CE1 HIS A 20 -6.627 0.689 7.962 1.00 0.96 C ATOM 291 NE2 HIS A 20 -7.690 -0.080 7.643 1.00 1.90 N ATOM 0 H HIS A 20 -6.812 2.915 2.570 1.00 0.39 H new ATOM 0 HA HIS A 20 -7.258 0.347 3.646 1.00 0.38 H new ATOM 0 HB2 HIS A 20 -6.650 2.788 4.614 1.00 0.48 H new ATOM 0 HB3 HIS A 20 -8.384 2.859 4.858 1.00 0.48 H new ATOM 0 HD2 HIS A 20 -9.019 -0.074 5.888 1.00 1.74 H new ATOM 0 HE1 HIS A 20 -6.036 0.595 8.861 1.00 0.96 H new ATOM 0 HE2 HIS A 20 -8.067 -0.842 8.207 1.00 1.90 H new ATOM 300 N ALA A 21 -9.997 1.914 2.687 1.00 0.42 N ATOM 301 CA ALA A 21 -11.410 1.683 2.433 1.00 0.49 C ATOM 302 C ALA A 21 -11.585 0.467 1.523 1.00 0.49 C ATOM 303 O ALA A 21 -12.558 -0.272 1.644 1.00 0.57 O ATOM 304 CB ALA A 21 -12.047 2.938 1.830 1.00 0.60 C ATOM 0 H ALA A 21 -9.656 2.822 2.372 1.00 0.42 H new ATOM 0 HA ALA A 21 -11.919 1.472 3.373 1.00 0.49 H new ATOM 0 HB1 ALA A 21 -13.105 2.755 1.643 1.00 0.60 H new ATOM 0 HB2 ALA A 21 -11.940 3.770 2.525 1.00 0.60 H new ATOM 0 HB3 ALA A 21 -11.550 3.183 0.891 1.00 0.60 H new ATOM 310 N VAL A 22 -10.641 0.226 0.612 1.00 0.48 N ATOM 311 CA VAL A 22 -10.751 -0.948 -0.245 1.00 0.56 C ATOM 312 C VAL A 22 -10.510 -2.235 0.548 1.00 0.54 C ATOM 313 O VAL A 22 -11.189 -3.232 0.298 1.00 0.58 O ATOM 314 CB VAL A 22 -9.869 -0.792 -1.498 1.00 0.67 C ATOM 315 CG1 VAL A 22 -9.972 -2.003 -2.432 1.00 0.81 C ATOM 316 CG2 VAL A 22 -10.314 0.436 -2.308 1.00 0.75 C ATOM 0 H VAL A 22 -9.819 0.808 0.453 1.00 0.48 H new ATOM 0 HA VAL A 22 -11.773 -1.032 -0.616 1.00 0.56 H new ATOM 0 HB VAL A 22 -8.844 -0.690 -1.142 1.00 0.67 H new ATOM 0 HG11 VAL A 22 -9.333 -1.847 -3.301 1.00 0.81 H new ATOM 0 HG12 VAL A 22 -9.651 -2.900 -1.902 1.00 0.81 H new ATOM 0 HG13 VAL A 22 -11.005 -2.124 -2.758 1.00 0.81 H new ATOM 0 HG21 VAL A 22 -9.684 0.537 -3.192 1.00 0.75 H new ATOM 0 HG22 VAL A 22 -11.353 0.312 -2.615 1.00 0.75 H new ATOM 0 HG23 VAL A 22 -10.222 1.331 -1.692 1.00 0.75 H new ATOM 326 N ASP A 23 -9.624 -2.217 1.549 1.00 0.55 N ATOM 327 CA ASP A 23 -9.474 -3.366 2.450 1.00 0.65 C ATOM 328 C ASP A 23 -10.776 -3.674 3.176 1.00 0.62 C ATOM 329 O ASP A 23 -11.030 -4.818 3.551 1.00 0.73 O ATOM 330 CB ASP A 23 -8.393 -3.146 3.518 1.00 0.83 C ATOM 331 CG ASP A 23 -6.979 -3.248 2.978 1.00 1.05 C ATOM 332 OD1 ASP A 23 -6.806 -3.954 1.960 1.00 2.13 O ATOM 333 OD2 ASP A 23 -6.116 -2.576 3.589 1.00 2.42 O ATOM 0 H ASP A 23 -9.007 -1.431 1.755 1.00 0.55 H new ATOM 0 HA ASP A 23 -9.183 -4.197 1.808 1.00 0.65 H new ATOM 0 HB2 ASP A 23 -8.532 -2.163 3.967 1.00 0.83 H new ATOM 0 HB3 ASP A 23 -8.524 -3.880 4.313 1.00 0.83 H new ATOM 338 N ASP A 24 -11.591 -2.646 3.405 1.00 0.57 N ATOM 339 CA ASP A 24 -12.809 -2.782 4.184 1.00 0.66 C ATOM 340 C ASP A 24 -13.796 -3.634 3.399 1.00 0.70 C ATOM 341 O ASP A 24 -14.325 -4.629 3.891 1.00 0.84 O ATOM 342 CB ASP A 24 -13.396 -1.411 4.525 1.00 0.75 C ATOM 343 CG ASP A 24 -14.514 -1.551 5.550 1.00 1.04 C ATOM 344 OD1 ASP A 24 -14.174 -1.576 6.753 1.00 1.64 O ATOM 345 OD2 ASP A 24 -15.684 -1.609 5.115 1.00 1.99 O ATOM 0 H ASP A 24 -11.423 -1.703 3.056 1.00 0.57 H new ATOM 0 HA ASP A 24 -12.588 -3.273 5.132 1.00 0.66 H new ATOM 0 HB2 ASP A 24 -12.614 -0.761 4.917 1.00 0.75 H new ATOM 0 HB3 ASP A 24 -13.780 -0.938 3.621 1.00 0.75 H new ATOM 350 N TYR A 25 -13.964 -3.293 2.120 1.00 0.66 N ATOM 351 CA TYR A 25 -14.759 -4.088 1.200 1.00 0.74 C ATOM 352 C TYR A 25 -14.250 -5.526 1.167 1.00 0.77 C ATOM 353 O TYR A 25 -15.030 -6.471 1.268 1.00 0.87 O ATOM 354 CB TYR A 25 -14.741 -3.441 -0.188 1.00 0.84 C ATOM 355 CG TYR A 25 -15.859 -3.942 -1.076 1.00 1.08 C ATOM 356 CD1 TYR A 25 -17.189 -3.680 -0.705 1.00 1.38 C ATOM 357 CD2 TYR A 25 -15.583 -4.693 -2.232 1.00 2.17 C ATOM 358 CE1 TYR A 25 -18.249 -4.178 -1.478 1.00 1.41 C ATOM 359 CE2 TYR A 25 -16.639 -5.178 -3.025 1.00 2.64 C ATOM 360 CZ TYR A 25 -17.980 -4.925 -2.646 1.00 1.88 C ATOM 361 OH TYR A 25 -19.018 -5.425 -3.373 1.00 2.32 O ATOM 0 H TYR A 25 -13.552 -2.460 1.700 1.00 0.66 H new ATOM 0 HA TYR A 25 -15.794 -4.120 1.542 1.00 0.74 H new ATOM 0 HB2 TYR A 25 -14.823 -2.359 -0.082 1.00 0.84 H new ATOM 0 HB3 TYR A 25 -13.783 -3.643 -0.667 1.00 0.84 H new ATOM 0 HD1 TYR A 25 -17.396 -3.093 0.178 1.00 1.38 H new ATOM 0 HD2 TYR A 25 -14.560 -4.898 -2.511 1.00 2.17 H new ATOM 0 HE1 TYR A 25 -19.270 -3.990 -1.180 1.00 1.41 H new ATOM 0 HE2 TYR A 25 -16.427 -5.742 -3.921 1.00 2.64 H new ATOM 0 HH TYR A 25 -18.669 -5.914 -4.147 1.00 2.32 H new ATOM 371 N ALA A 26 -12.935 -5.711 1.053 1.00 0.80 N ATOM 372 CA ALA A 26 -12.349 -7.040 1.080 1.00 1.00 C ATOM 373 C ALA A 26 -12.663 -7.791 2.377 1.00 1.08 C ATOM 374 O ALA A 26 -12.754 -9.007 2.340 1.00 1.17 O ATOM 375 CB ALA A 26 -10.852 -6.948 0.825 1.00 1.14 C ATOM 0 H ALA A 26 -12.260 -4.954 0.941 1.00 0.80 H new ATOM 0 HA ALA A 26 -12.803 -7.626 0.281 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -10.417 -7.947 0.846 1.00 1.14 H new ATOM 0 HB2 ALA A 26 -10.676 -6.497 -0.151 1.00 1.14 H new ATOM 0 HB3 ALA A 26 -10.388 -6.334 1.597 1.00 1.14 H new ATOM 381 N GLY A 27 -12.861 -7.103 3.500 1.00 1.15 N ATOM 382 CA GLY A 27 -13.181 -7.730 4.777 1.00 1.35 C ATOM 383 C GLY A 27 -14.599 -8.290 4.813 1.00 1.31 C ATOM 384 O GLY A 27 -14.895 -9.175 5.610 1.00 1.70 O ATOM 0 H GLY A 27 -12.803 -6.086 3.547 1.00 1.15 H new ATOM 0 HA2 GLY A 27 -12.471 -8.534 4.971 1.00 1.35 H new ATOM 0 HA3 GLY A 27 -13.062 -6.999 5.577 1.00 1.35 H new ATOM 388 N TYR A 28 -15.505 -7.739 4.001 1.00 1.13 N ATOM 389 CA TYR A 28 -16.884 -8.205 3.969 1.00 1.24 C ATOM 390 C TYR A 28 -17.077 -9.288 2.905 1.00 1.22 C ATOM 391 O TYR A 28 -17.791 -10.263 3.123 1.00 1.42 O ATOM 392 CB TYR A 28 -17.838 -7.018 3.777 1.00 1.34 C ATOM 393 CG TYR A 28 -19.095 -7.169 4.611 1.00 1.66 C ATOM 394 CD1 TYR A 28 -20.127 -8.029 4.191 1.00 1.86 C ATOM 395 CD2 TYR A 28 -19.195 -6.502 5.846 1.00 1.98 C ATOM 396 CE1 TYR A 28 -21.267 -8.206 4.996 1.00 2.21 C ATOM 397 CE2 TYR A 28 -20.331 -6.672 6.657 1.00 2.37 C ATOM 398 CZ TYR A 28 -21.376 -7.525 6.229 1.00 2.43 C ATOM 399 OH TYR A 28 -22.479 -7.713 7.007 1.00 2.86 O ATOM 0 H TYR A 28 -15.304 -6.971 3.360 1.00 1.13 H new ATOM 0 HA TYR A 28 -17.123 -8.668 4.926 1.00 1.24 H new ATOM 0 HB2 TYR A 28 -17.329 -6.094 4.050 1.00 1.34 H new ATOM 0 HB3 TYR A 28 -18.108 -6.934 2.724 1.00 1.34 H new ATOM 0 HD1 TYR A 28 -20.044 -8.553 3.250 1.00 1.86 H new ATOM 0 HD2 TYR A 28 -18.394 -5.855 6.173 1.00 1.98 H new ATOM 0 HE1 TYR A 28 -22.060 -8.863 4.671 1.00 2.21 H new ATOM 0 HE2 TYR A 28 -20.406 -6.154 7.602 1.00 2.37 H new ATOM 0 HH TYR A 28 -22.400 -7.174 7.822 1.00 2.86 H new ATOM 409 N LEU A 29 -16.507 -9.079 1.717 1.00 1.12 N ATOM 410 CA LEU A 29 -16.647 -9.968 0.575 1.00 1.27 C ATOM 411 C LEU A 29 -15.754 -11.183 0.685 1.00 1.35 C ATOM 412 O LEU A 29 -16.115 -12.264 0.224 1.00 1.53 O ATOM 413 CB LEU A 29 -16.250 -9.226 -0.697 1.00 1.27 C ATOM 414 CG LEU A 29 -17.349 -8.279 -1.211 1.00 1.35 C ATOM 415 CD1 LEU A 29 -18.538 -9.110 -1.676 1.00 1.60 C ATOM 416 CD2 LEU A 29 -17.920 -7.280 -0.203 1.00 1.25 C ATOM 0 H LEU A 29 -15.922 -8.266 1.523 1.00 1.12 H new ATOM 0 HA LEU A 29 -17.688 -10.291 0.548 1.00 1.27 H new ATOM 0 HB2 LEU A 29 -15.343 -8.652 -0.508 1.00 1.27 H new ATOM 0 HB3 LEU A 29 -16.011 -9.952 -1.474 1.00 1.27 H new ATOM 0 HG LEU A 29 -16.850 -7.703 -1.991 1.00 1.35 H new ATOM 0 HD11 LEU A 29 -19.323 -8.449 -2.042 1.00 1.60 H new ATOM 0 HD12 LEU A 29 -18.223 -9.779 -2.477 1.00 1.60 H new ATOM 0 HD13 LEU A 29 -18.919 -9.698 -0.841 1.00 1.60 H new ATOM 0 HD21 LEU A 29 -18.684 -6.672 -0.687 1.00 1.25 H new ATOM 0 HD22 LEU A 29 -18.362 -7.820 0.634 1.00 1.25 H new ATOM 0 HD23 LEU A 29 -17.121 -6.635 0.163 1.00 1.25 H new ATOM 428 N LEU A 30 -14.551 -10.971 1.197 1.00 1.29 N ATOM 429 CA LEU A 30 -13.578 -12.017 1.387 1.00 1.37 C ATOM 430 C LEU A 30 -13.419 -12.134 2.901 1.00 1.57 C ATOM 431 O LEU A 30 -14.009 -11.339 3.622 1.00 2.60 O ATOM 432 CB LEU A 30 -12.268 -11.678 0.659 1.00 1.34 C ATOM 433 CG LEU A 30 -12.490 -11.354 -0.829 1.00 1.39 C ATOM 434 CD1 LEU A 30 -11.391 -10.423 -1.325 1.00 1.40 C ATOM 435 CD2 LEU A 30 -12.522 -12.629 -1.671 1.00 1.64 C ATOM 0 H LEU A 30 -14.226 -10.051 1.494 1.00 1.29 H new ATOM 0 HA LEU A 30 -13.887 -12.972 0.963 1.00 1.37 H new ATOM 0 HB2 LEU A 30 -11.795 -10.826 1.147 1.00 1.34 H new ATOM 0 HB3 LEU A 30 -11.579 -12.518 0.746 1.00 1.34 H new ATOM 0 HG LEU A 30 -13.455 -10.858 -0.932 1.00 1.39 H new ATOM 0 HD11 LEU A 30 -11.554 -10.197 -2.379 1.00 1.40 H new ATOM 0 HD12 LEU A 30 -11.410 -9.498 -0.749 1.00 1.40 H new ATOM 0 HD13 LEU A 30 -10.422 -10.907 -1.203 1.00 1.40 H new ATOM 0 HD21 LEU A 30 -12.680 -12.370 -2.718 1.00 1.64 H new ATOM 0 HD22 LEU A 30 -11.574 -13.157 -1.567 1.00 1.64 H new ATOM 0 HD23 LEU A 30 -13.334 -13.270 -1.329 1.00 1.64 H new ATOM 447 N ASP A 31 -12.628 -13.099 3.371 1.00 1.70 N ATOM 448 CA ASP A 31 -12.381 -13.357 4.789 1.00 1.85 C ATOM 449 C ASP A 31 -13.659 -13.774 5.532 1.00 2.04 C ATOM 450 O ASP A 31 -14.701 -13.130 5.497 1.00 2.81 O ATOM 451 CB ASP A 31 -11.632 -12.188 5.450 1.00 2.69 C ATOM 452 CG ASP A 31 -10.284 -11.929 4.769 1.00 4.04 C ATOM 453 OD1 ASP A 31 -9.781 -12.870 4.109 1.00 4.92 O ATOM 454 OD2 ASP A 31 -9.764 -10.802 4.914 1.00 4.96 O ATOM 0 H ASP A 31 -12.127 -13.741 2.757 1.00 1.70 H new ATOM 0 HA ASP A 31 -11.716 -14.218 4.862 1.00 1.85 H new ATOM 0 HB2 ASP A 31 -12.245 -11.288 5.401 1.00 2.69 H new ATOM 0 HB3 ASP A 31 -11.472 -12.407 6.506 1.00 2.69 H new ATOM 459 N LYS A 32 -13.632 -14.925 6.203 1.00 2.55 N ATOM 460 CA LYS A 32 -14.876 -15.557 6.646 1.00 3.65 C ATOM 461 C LYS A 32 -15.223 -15.119 8.067 1.00 4.09 C ATOM 462 O LYS A 32 -15.495 -15.950 8.928 1.00 4.86 O ATOM 463 CB LYS A 32 -14.754 -17.076 6.460 1.00 4.57 C ATOM 464 CG LYS A 32 -14.698 -17.360 4.951 1.00 5.08 C ATOM 465 CD LYS A 32 -14.279 -18.788 4.604 1.00 5.91 C ATOM 466 CE LYS A 32 -13.981 -18.796 3.099 1.00 6.75 C ATOM 467 NZ LYS A 32 -14.063 -20.148 2.509 1.00 7.79 N ATOM 0 H LYS A 32 -12.781 -15.431 6.448 1.00 2.55 H new ATOM 0 HA LYS A 32 -15.719 -15.232 6.037 1.00 3.65 H new ATOM 0 HB2 LYS A 32 -13.857 -17.451 6.953 1.00 4.57 H new ATOM 0 HB3 LYS A 32 -15.604 -17.586 6.914 1.00 4.57 H new ATOM 0 HG2 LYS A 32 -15.679 -17.164 4.518 1.00 5.08 H new ATOM 0 HG3 LYS A 32 -14.000 -16.664 4.486 1.00 5.08 H new ATOM 0 HD2 LYS A 32 -13.400 -19.085 5.176 1.00 5.91 H new ATOM 0 HD3 LYS A 32 -15.072 -19.496 4.847 1.00 5.91 H new ATOM 0 HE2 LYS A 32 -14.686 -18.138 2.590 1.00 6.75 H new ATOM 0 HE3 LYS A 32 -12.984 -18.389 2.928 1.00 6.75 H new ATOM 0 HZ1 LYS A 32 -13.853 -20.096 1.492 1.00 7.79 H new ATOM 0 HZ2 LYS A 32 -13.373 -20.772 2.974 1.00 7.79 H new ATOM 0 HZ3 LYS A 32 -15.021 -20.529 2.646 1.00 7.79 H new ATOM 481 N ASN A 33 -15.207 -13.807 8.304 1.00 4.16 N ATOM 482 CA ASN A 33 -15.491 -13.180 9.581 1.00 4.75 C ATOM 483 C ASN A 33 -15.809 -11.707 9.322 1.00 5.14 C ATOM 484 O ASN A 33 -14.879 -10.935 9.113 1.00 4.95 O ATOM 485 CB ASN A 33 -14.234 -13.304 10.448 1.00 4.97 C ATOM 486 CG ASN A 33 -14.415 -12.671 11.820 1.00 5.79 C ATOM 487 OD1 ASN A 33 -14.664 -13.355 12.805 1.00 6.06 O ATOM 488 ND2 ASN A 33 -14.298 -11.355 11.900 1.00 6.76 N ATOM 0 H ASN A 33 -14.985 -13.129 7.575 1.00 4.16 H new ATOM 0 HA ASN A 33 -16.335 -13.650 10.086 1.00 4.75 H new ATOM 0 HB2 ASN A 33 -13.980 -14.357 10.567 1.00 4.97 H new ATOM 0 HB3 ASN A 33 -13.396 -12.829 9.939 1.00 4.97 H new ATOM 0 HD21 ASN A 33 -14.416 -10.886 12.798 1.00 6.76 H new ATOM 0 HD22 ASN A 33 -14.090 -10.810 11.063 1.00 6.76 H new ATOM 495 N GLN A 34 -17.084 -11.302 9.353 1.00 6.33 N ATOM 496 CA GLN A 34 -17.494 -9.947 8.974 1.00 7.32 C ATOM 497 C GLN A 34 -16.681 -8.863 9.683 1.00 6.83 C ATOM 498 O GLN A 34 -16.342 -7.853 9.074 1.00 7.45 O ATOM 499 CB GLN A 34 -18.990 -9.712 9.249 1.00 9.21 C ATOM 500 CG GLN A 34 -19.920 -10.265 8.160 1.00 10.69 C ATOM 501 CD GLN A 34 -20.393 -11.691 8.423 1.00 11.43 C ATOM 502 OE1 GLN A 34 -19.666 -12.524 8.953 1.00 11.04 O ATOM 503 NE2 GLN A 34 -21.636 -11.994 8.070 1.00 12.79 N ATOM 0 H GLN A 34 -17.857 -11.902 9.640 1.00 6.33 H new ATOM 0 HA GLN A 34 -17.303 -9.872 7.903 1.00 7.32 H new ATOM 0 HB2 GLN A 34 -19.250 -10.172 10.202 1.00 9.21 H new ATOM 0 HB3 GLN A 34 -19.166 -8.641 9.353 1.00 9.21 H new ATOM 0 HG2 GLN A 34 -20.790 -9.614 8.072 1.00 10.69 H new ATOM 0 HG3 GLN A 34 -19.401 -10.235 7.202 1.00 10.69 H new ATOM 0 HE21 GLN A 34 -22.227 -11.289 7.630 1.00 12.79 H new ATOM 0 HE22 GLN A 34 -22.000 -12.932 8.239 1.00 12.79 H new ATOM 512 N SER A 35 -16.407 -9.026 10.977 1.00 6.33 N ATOM 513 CA SER A 35 -15.647 -8.038 11.725 1.00 6.30 C ATOM 514 C SER A 35 -14.148 -8.259 11.521 1.00 4.69 C ATOM 515 O SER A 35 -13.450 -8.587 12.478 1.00 5.00 O ATOM 516 CB SER A 35 -16.015 -8.148 13.208 1.00 7.84 C ATOM 517 OG SER A 35 -17.418 -8.062 13.361 1.00 9.49 O ATOM 0 H SER A 35 -16.702 -9.834 11.525 1.00 6.33 H new ATOM 0 HA SER A 35 -15.890 -7.037 11.368 1.00 6.30 H new ATOM 0 HB2 SER A 35 -15.653 -9.093 13.613 1.00 7.84 H new ATOM 0 HB3 SER A 35 -15.529 -7.352 13.773 1.00 7.84 H new ATOM 0 HG SER A 35 -17.649 -8.135 14.311 1.00 9.49 H new ATOM 523 N ASP A 36 -13.652 -8.120 10.290 1.00 3.79 N ATOM 524 CA ASP A 36 -12.226 -8.176 9.975 1.00 2.85 C ATOM 525 C ASP A 36 -11.983 -7.385 8.686 1.00 2.57 C ATOM 526 O ASP A 36 -12.943 -6.921 8.070 1.00 3.61 O ATOM 527 CB ASP A 36 -11.760 -9.635 9.829 1.00 3.90 C ATOM 528 CG ASP A 36 -10.303 -9.821 10.252 1.00 4.75 C ATOM 529 OD1 ASP A 36 -9.583 -8.799 10.311 1.00 4.86 O ATOM 530 OD2 ASP A 36 -9.941 -10.980 10.545 1.00 6.13 O ATOM 0 H ASP A 36 -14.241 -7.963 9.472 1.00 3.79 H new ATOM 0 HA ASP A 36 -11.648 -7.733 10.786 1.00 2.85 H new ATOM 0 HB2 ASP A 36 -12.397 -10.280 10.434 1.00 3.90 H new ATOM 0 HB3 ASP A 36 -11.879 -9.951 8.792 1.00 3.90 H new ATOM 535 N LEU A 37 -10.729 -7.201 8.265 1.00 1.94 N ATOM 536 CA LEU A 37 -10.379 -6.501 7.035 1.00 1.63 C ATOM 537 C LEU A 37 -9.206 -7.240 6.406 1.00 1.53 C ATOM 538 O LEU A 37 -8.319 -7.694 7.134 1.00 1.89 O ATOM 539 CB LEU A 37 -9.988 -5.036 7.295 1.00 1.82 C ATOM 540 CG LEU A 37 -11.030 -4.214 8.075 1.00 2.17 C ATOM 541 CD1 LEU A 37 -10.948 -4.461 9.593 1.00 2.42 C ATOM 542 CD2 LEU A 37 -10.790 -2.724 7.812 1.00 2.55 C ATOM 0 H LEU A 37 -9.918 -7.542 8.781 1.00 1.94 H new ATOM 0 HA LEU A 37 -11.245 -6.486 6.373 1.00 1.63 H new ATOM 0 HB2 LEU A 37 -9.047 -5.019 7.846 1.00 1.82 H new ATOM 0 HB3 LEU A 37 -9.806 -4.549 6.337 1.00 1.82 H new ATOM 0 HG LEU A 37 -12.017 -4.524 7.733 1.00 2.17 H new ATOM 0 HD11 LEU A 37 -11.702 -3.860 10.101 1.00 2.42 H new ATOM 0 HD12 LEU A 37 -11.126 -5.516 9.800 1.00 2.42 H new ATOM 0 HD13 LEU A 37 -9.958 -4.182 9.954 1.00 2.42 H new ATOM 0 HD21 LEU A 37 -11.524 -2.135 8.361 1.00 2.55 H new ATOM 0 HD22 LEU A 37 -9.787 -2.453 8.142 1.00 2.55 H new ATOM 0 HD23 LEU A 37 -10.888 -2.522 6.745 1.00 2.55 H new ATOM 554 N VAL A 38 -9.170 -7.356 5.073 1.00 1.42 N ATOM 555 CA VAL A 38 -8.100 -8.123 4.447 1.00 1.51 C ATOM 556 C VAL A 38 -6.772 -7.436 4.765 1.00 1.98 C ATOM 557 O VAL A 38 -6.535 -6.298 4.376 1.00 3.49 O ATOM 558 CB VAL A 38 -8.358 -8.359 2.943 1.00 1.37 C ATOM 559 CG1 VAL A 38 -7.861 -7.231 2.030 1.00 1.52 C ATOM 560 CG2 VAL A 38 -7.661 -9.650 2.492 1.00 1.69 C ATOM 0 H VAL A 38 -9.846 -6.943 4.431 1.00 1.42 H new ATOM 0 HA VAL A 38 -8.060 -9.131 4.859 1.00 1.51 H new ATOM 0 HB VAL A 38 -9.442 -8.413 2.846 1.00 1.37 H new ATOM 0 HG11 VAL A 38 -8.083 -7.479 0.992 1.00 1.52 H new ATOM 0 HG12 VAL A 38 -8.362 -6.300 2.296 1.00 1.52 H new ATOM 0 HG13 VAL A 38 -6.785 -7.111 2.153 1.00 1.52 H new ATOM 0 HG21 VAL A 38 -7.846 -9.812 1.430 1.00 1.69 H new ATOM 0 HG22 VAL A 38 -6.588 -9.563 2.664 1.00 1.69 H new ATOM 0 HG23 VAL A 38 -8.053 -10.493 3.061 1.00 1.69 H new ATOM 570 N THR A 39 -5.918 -8.113 5.526 1.00 1.67 N ATOM 571 CA THR A 39 -4.623 -7.584 5.935 1.00 1.85 C ATOM 572 C THR A 39 -3.553 -8.678 5.867 1.00 1.93 C ATOM 573 O THR A 39 -2.399 -8.465 6.223 1.00 3.05 O ATOM 574 CB THR A 39 -4.752 -6.994 7.346 1.00 2.32 C ATOM 575 OG1 THR A 39 -5.497 -7.878 8.164 1.00 3.66 O ATOM 576 CG2 THR A 39 -5.460 -5.637 7.355 1.00 2.30 C ATOM 0 H THR A 39 -6.107 -9.051 5.878 1.00 1.67 H new ATOM 0 HA THR A 39 -4.310 -6.792 5.255 1.00 1.85 H new ATOM 0 HB THR A 39 -3.738 -6.857 7.722 1.00 2.32 H new ATOM 0 HG1 THR A 39 -6.450 -7.798 7.949 1.00 3.66 H new ATOM 0 HG21 THR A 39 -5.524 -5.267 8.378 1.00 2.30 H new ATOM 0 HG22 THR A 39 -4.897 -4.929 6.747 1.00 2.30 H new ATOM 0 HG23 THR A 39 -6.464 -5.748 6.946 1.00 2.30 H new ATOM 584 N ASN A 40 -3.914 -9.881 5.403 1.00 2.19 N ATOM 585 CA ASN A 40 -2.974 -10.961 5.157 1.00 2.67 C ATOM 586 C ASN A 40 -3.663 -11.985 4.267 1.00 2.49 C ATOM 587 O ASN A 40 -4.355 -12.869 4.761 1.00 3.20 O ATOM 588 CB ASN A 40 -2.532 -11.625 6.470 1.00 3.60 C ATOM 589 CG ASN A 40 -1.243 -11.004 6.976 1.00 4.21 C ATOM 590 OD1 ASN A 40 -0.236 -11.051 6.279 1.00 4.87 O ATOM 591 ND2 ASN A 40 -1.236 -10.447 8.178 1.00 4.75 N ATOM 0 H ASN A 40 -4.881 -10.126 5.188 1.00 2.19 H new ATOM 0 HA ASN A 40 -2.081 -10.563 4.674 1.00 2.67 H new ATOM 0 HB2 ASN A 40 -3.314 -11.514 7.221 1.00 3.60 H new ATOM 0 HB3 ASN A 40 -2.390 -12.694 6.313 1.00 3.60 H new ATOM 0 HD21 ASN A 40 -0.376 -10.042 8.547 1.00 4.75 H new ATOM 0 HD22 ASN A 40 -2.091 -10.423 8.734 1.00 4.75 H new ATOM 598 N SER A 41 -3.480 -11.876 2.954 1.00 2.44 N ATOM 599 CA SER A 41 -3.973 -12.877 2.025 1.00 2.73 C ATOM 600 C SER A 41 -3.062 -12.894 0.800 1.00 3.24 C ATOM 601 O SER A 41 -2.043 -12.202 0.785 1.00 3.82 O ATOM 602 CB SER A 41 -5.434 -12.562 1.677 1.00 2.97 C ATOM 603 OG SER A 41 -6.013 -13.606 0.920 1.00 3.77 O ATOM 0 H SER A 41 -2.990 -11.098 2.512 1.00 2.44 H new ATOM 0 HA SER A 41 -3.955 -13.874 2.464 1.00 2.73 H new ATOM 0 HB2 SER A 41 -6.005 -12.413 2.593 1.00 2.97 H new ATOM 0 HB3 SER A 41 -5.484 -11.630 1.115 1.00 2.97 H new ATOM 0 HG SER A 41 -6.944 -13.382 0.713 1.00 3.77 H new ATOM 609 N LYS A 42 -3.421 -13.692 -0.210 1.00 3.70 N ATOM 610 CA LYS A 42 -2.693 -13.943 -1.453 1.00 4.36 C ATOM 611 C LYS A 42 -1.238 -14.335 -1.208 1.00 4.32 C ATOM 612 O LYS A 42 -0.900 -15.512 -1.283 1.00 4.52 O ATOM 613 CB LYS A 42 -2.898 -12.780 -2.443 1.00 4.96 C ATOM 614 CG LYS A 42 -2.561 -13.178 -3.890 1.00 5.63 C ATOM 615 CD LYS A 42 -1.138 -12.809 -4.328 1.00 5.90 C ATOM 616 CE LYS A 42 -0.853 -13.512 -5.658 1.00 6.58 C ATOM 617 NZ LYS A 42 0.389 -13.029 -6.293 1.00 7.48 N ATOM 0 H LYS A 42 -4.294 -14.218 -0.175 1.00 3.70 H new ATOM 0 HA LYS A 42 -3.116 -14.823 -1.937 1.00 4.36 H new ATOM 0 HB2 LYS A 42 -3.933 -12.442 -2.393 1.00 4.96 H new ATOM 0 HB3 LYS A 42 -2.273 -11.938 -2.145 1.00 4.96 H new ATOM 0 HG2 LYS A 42 -2.695 -14.254 -4.000 1.00 5.63 H new ATOM 0 HG3 LYS A 42 -3.272 -12.698 -4.562 1.00 5.63 H new ATOM 0 HD2 LYS A 42 -1.042 -11.729 -4.440 1.00 5.90 H new ATOM 0 HD3 LYS A 42 -0.415 -13.116 -3.572 1.00 5.90 H new ATOM 0 HE2 LYS A 42 -0.778 -14.586 -5.490 1.00 6.58 H new ATOM 0 HE3 LYS A 42 -1.691 -13.353 -6.337 1.00 6.58 H new ATOM 0 HZ1 LYS A 42 0.759 -13.761 -6.932 1.00 7.48 H new ATOM 0 HZ2 LYS A 42 0.188 -12.165 -6.836 1.00 7.48 H new ATOM 0 HZ3 LYS A 42 1.096 -12.821 -5.559 1.00 7.48 H new ATOM 631 N LYS A 43 -0.357 -13.373 -0.940 1.00 4.59 N ATOM 632 CA LYS A 43 1.038 -13.666 -0.637 1.00 4.77 C ATOM 633 C LYS A 43 1.202 -14.278 0.754 1.00 4.04 C ATOM 634 O LYS A 43 2.155 -15.030 0.936 1.00 4.40 O ATOM 635 CB LYS A 43 1.889 -12.398 -0.789 1.00 5.13 C ATOM 636 CG LYS A 43 2.813 -12.475 -2.012 1.00 6.42 C ATOM 637 CD LYS A 43 4.146 -13.176 -1.705 1.00 6.03 C ATOM 638 CE LYS A 43 4.018 -14.702 -1.743 1.00 6.12 C ATOM 639 NZ LYS A 43 5.266 -15.364 -1.308 1.00 6.43 N ATOM 0 H LYS A 43 -0.589 -12.380 -0.927 1.00 4.59 H new ATOM 0 HA LYS A 43 1.389 -14.410 -1.353 1.00 4.77 H new ATOM 0 HB2 LYS A 43 1.235 -11.531 -0.881 1.00 5.13 H new ATOM 0 HB3 LYS A 43 2.488 -12.252 0.110 1.00 5.13 H new ATOM 0 HG2 LYS A 43 2.303 -13.008 -2.814 1.00 6.42 H new ATOM 0 HG3 LYS A 43 3.013 -11.467 -2.376 1.00 6.42 H new ATOM 0 HD2 LYS A 43 4.897 -12.858 -2.428 1.00 6.03 H new ATOM 0 HD3 LYS A 43 4.499 -12.867 -0.721 1.00 6.03 H new ATOM 0 HE2 LYS A 43 3.196 -15.015 -1.099 1.00 6.12 H new ATOM 0 HE3 LYS A 43 3.770 -15.022 -2.755 1.00 6.12 H new ATOM 0 HZ1 LYS A 43 5.143 -16.396 -1.346 1.00 6.43 H new ATOM 0 HZ2 LYS A 43 6.045 -15.084 -1.938 1.00 6.43 H new ATOM 0 HZ3 LYS A 43 5.489 -15.078 -0.333 1.00 6.43 H new ATOM 653 N PHE A 44 0.294 -13.956 1.686 1.00 3.72 N ATOM 654 CA PHE A 44 0.328 -14.304 3.105 1.00 3.30 C ATOM 655 C PHE A 44 1.578 -13.772 3.804 1.00 2.92 C ATOM 656 O PHE A 44 2.650 -14.367 3.723 1.00 3.53 O ATOM 657 CB PHE A 44 0.136 -15.810 3.335 1.00 3.89 C ATOM 658 CG PHE A 44 -1.314 -16.220 3.467 1.00 4.61 C ATOM 659 CD1 PHE A 44 -2.011 -15.920 4.653 1.00 4.51 C ATOM 660 CD2 PHE A 44 -1.964 -16.914 2.428 1.00 6.11 C ATOM 661 CE1 PHE A 44 -3.349 -16.320 4.806 1.00 5.59 C ATOM 662 CE2 PHE A 44 -3.301 -17.322 2.587 1.00 7.01 C ATOM 663 CZ PHE A 44 -3.992 -17.027 3.776 1.00 6.63 C ATOM 0 H PHE A 44 -0.535 -13.411 1.449 1.00 3.72 H new ATOM 0 HA PHE A 44 -0.523 -13.803 3.567 1.00 3.30 H new ATOM 0 HB2 PHE A 44 0.586 -16.356 2.506 1.00 3.89 H new ATOM 0 HB3 PHE A 44 0.672 -16.103 4.238 1.00 3.89 H new ATOM 0 HD1 PHE A 44 -1.516 -15.381 5.447 1.00 4.51 H new ATOM 0 HD2 PHE A 44 -1.437 -17.133 1.511 1.00 6.11 H new ATOM 0 HE1 PHE A 44 -3.883 -16.084 5.715 1.00 5.59 H new ATOM 0 HE2 PHE A 44 -3.798 -17.863 1.795 1.00 7.01 H new ATOM 0 HZ PHE A 44 -5.017 -17.344 3.897 1.00 6.63 H new ATOM 673 N ILE A 45 1.403 -12.678 4.554 1.00 2.14 N ATOM 674 CA ILE A 45 2.455 -11.967 5.273 1.00 1.88 C ATOM 675 C ILE A 45 3.694 -11.820 4.373 1.00 2.19 C ATOM 676 O ILE A 45 3.487 -11.516 3.199 1.00 4.11 O ATOM 677 CB ILE A 45 2.579 -12.543 6.703 1.00 2.38 C ATOM 678 CG1 ILE A 45 3.329 -11.591 7.648 1.00 2.35 C ATOM 679 CG2 ILE A 45 3.142 -13.967 6.794 1.00 3.85 C ATOM 680 CD1 ILE A 45 2.643 -11.524 9.018 1.00 2.48 C ATOM 0 H ILE A 45 0.486 -12.250 4.679 1.00 2.14 H new ATOM 0 HA ILE A 45 2.230 -10.921 5.483 1.00 1.88 H new ATOM 0 HB ILE A 45 1.545 -12.628 7.037 1.00 2.38 H new ATOM 0 HG12 ILE A 45 4.358 -11.929 7.769 1.00 2.35 H new ATOM 0 HG13 ILE A 45 3.370 -10.594 7.209 1.00 2.35 H new ATOM 0 HG21 ILE A 45 3.187 -14.274 7.839 1.00 3.85 H new ATOM 0 HG22 ILE A 45 2.496 -14.650 6.243 1.00 3.85 H new ATOM 0 HG23 ILE A 45 4.144 -13.990 6.365 1.00 3.85 H new ATOM 0 HD11 ILE A 45 3.194 -10.844 9.668 1.00 2.48 H new ATOM 0 HD12 ILE A 45 1.622 -11.163 8.896 1.00 2.48 H new ATOM 0 HD13 ILE A 45 2.625 -12.518 9.465 1.00 2.48 H new ATOM 692 N ASP A 46 4.935 -11.968 4.871 1.00 1.31 N ATOM 693 CA ASP A 46 6.212 -11.795 4.146 1.00 1.26 C ATOM 694 C ASP A 46 6.426 -10.356 3.671 1.00 0.98 C ATOM 695 O ASP A 46 7.269 -9.636 4.197 1.00 0.83 O ATOM 696 CB ASP A 46 6.363 -12.790 2.983 1.00 1.56 C ATOM 697 CG ASP A 46 7.592 -12.443 2.136 1.00 2.18 C ATOM 698 OD1 ASP A 46 8.724 -12.646 2.616 1.00 3.03 O ATOM 699 OD2 ASP A 46 7.409 -11.917 1.014 1.00 3.03 O ATOM 0 H ASP A 46 5.085 -12.226 5.846 1.00 1.31 H new ATOM 0 HA ASP A 46 6.997 -12.016 4.869 1.00 1.26 H new ATOM 0 HB2 ASP A 46 6.457 -13.803 3.373 1.00 1.56 H new ATOM 0 HB3 ASP A 46 5.468 -12.770 2.361 1.00 1.56 H new ATOM 704 N ILE A 47 5.612 -9.939 2.712 1.00 0.98 N ATOM 705 CA ILE A 47 5.459 -8.620 2.133 1.00 0.65 C ATOM 706 C ILE A 47 5.595 -7.552 3.224 1.00 0.50 C ATOM 707 O ILE A 47 6.540 -6.770 3.249 1.00 0.48 O ATOM 708 CB ILE A 47 4.065 -8.604 1.454 1.00 0.47 C ATOM 709 CG1 ILE A 47 3.865 -9.677 0.374 1.00 0.56 C ATOM 710 CG2 ILE A 47 3.725 -7.228 0.890 1.00 0.38 C ATOM 711 CD1 ILE A 47 4.536 -9.277 -0.923 1.00 0.56 C ATOM 0 H ILE A 47 4.969 -10.598 2.273 1.00 0.98 H new ATOM 0 HA ILE A 47 6.230 -8.397 1.396 1.00 0.65 H new ATOM 0 HB ILE A 47 3.373 -8.849 2.260 1.00 0.47 H new ATOM 0 HG12 ILE A 47 4.273 -10.626 0.720 1.00 0.56 H new ATOM 0 HG13 ILE A 47 2.800 -9.831 0.203 1.00 0.56 H new ATOM 0 HG21 ILE A 47 2.741 -7.259 0.423 1.00 0.38 H new ATOM 0 HG22 ILE A 47 3.721 -6.495 1.697 1.00 0.38 H new ATOM 0 HG23 ILE A 47 4.470 -6.945 0.147 1.00 0.38 H new ATOM 0 HD11 ILE A 47 4.378 -10.055 -1.670 1.00 0.56 H new ATOM 0 HD12 ILE A 47 4.109 -8.340 -1.280 1.00 0.56 H new ATOM 0 HD13 ILE A 47 5.605 -9.147 -0.755 1.00 0.56 H new ATOM 723 N PHE A 48 4.657 -7.523 4.167 1.00 0.45 N ATOM 724 CA PHE A 48 4.690 -6.556 5.251 1.00 0.36 C ATOM 725 C PHE A 48 5.898 -6.751 6.168 1.00 0.34 C ATOM 726 O PHE A 48 6.324 -5.819 6.837 1.00 0.32 O ATOM 727 CB PHE A 48 3.383 -6.673 6.039 1.00 0.40 C ATOM 728 CG PHE A 48 3.377 -5.858 7.312 1.00 0.38 C ATOM 729 CD1 PHE A 48 3.679 -4.491 7.251 1.00 0.33 C ATOM 730 CD2 PHE A 48 3.153 -6.467 8.560 1.00 0.44 C ATOM 731 CE1 PHE A 48 3.787 -3.737 8.424 1.00 0.35 C ATOM 732 CE2 PHE A 48 3.178 -5.694 9.735 1.00 0.46 C ATOM 733 CZ PHE A 48 3.520 -4.331 9.668 1.00 0.42 C ATOM 0 H PHE A 48 3.863 -8.163 4.199 1.00 0.45 H new ATOM 0 HA PHE A 48 4.790 -5.557 4.827 1.00 0.36 H new ATOM 0 HB2 PHE A 48 2.556 -6.352 5.406 1.00 0.40 H new ATOM 0 HB3 PHE A 48 3.208 -7.720 6.285 1.00 0.40 H new ATOM 0 HD1 PHE A 48 3.829 -4.017 6.292 1.00 0.33 H new ATOM 0 HD2 PHE A 48 2.962 -7.528 8.616 1.00 0.44 H new ATOM 0 HE1 PHE A 48 4.076 -2.698 8.373 1.00 0.35 H new ATOM 0 HE2 PHE A 48 2.935 -6.145 10.686 1.00 0.46 H new ATOM 0 HZ PHE A 48 3.577 -3.743 10.572 1.00 0.42 H new ATOM 743 N LYS A 49 6.448 -7.957 6.278 1.00 0.44 N ATOM 744 CA LYS A 49 7.541 -8.149 7.214 1.00 0.41 C ATOM 745 C LYS A 49 8.796 -7.430 6.744 1.00 0.42 C ATOM 746 O LYS A 49 9.444 -6.768 7.547 1.00 0.43 O ATOM 747 CB LYS A 49 7.831 -9.637 7.443 1.00 0.52 C ATOM 748 CG LYS A 49 6.631 -10.405 8.005 1.00 1.04 C ATOM 749 CD LYS A 49 6.285 -9.987 9.440 1.00 0.91 C ATOM 750 CE LYS A 49 5.299 -8.814 9.476 1.00 0.79 C ATOM 751 NZ LYS A 49 5.199 -8.228 10.828 1.00 0.97 N ATOM 0 H LYS A 49 6.166 -8.784 5.752 1.00 0.44 H new ATOM 0 HA LYS A 49 7.232 -7.717 8.166 1.00 0.41 H new ATOM 0 HB2 LYS A 49 8.135 -10.091 6.500 1.00 0.52 H new ATOM 0 HB3 LYS A 49 8.671 -9.735 8.130 1.00 0.52 H new ATOM 0 HG2 LYS A 49 5.765 -10.240 7.363 1.00 1.04 H new ATOM 0 HG3 LYS A 49 6.845 -11.474 7.983 1.00 1.04 H new ATOM 0 HD2 LYS A 49 5.857 -10.837 9.972 1.00 0.91 H new ATOM 0 HD3 LYS A 49 7.198 -9.709 9.967 1.00 0.91 H new ATOM 0 HE2 LYS A 49 5.619 -8.048 8.770 1.00 0.79 H new ATOM 0 HE3 LYS A 49 4.315 -9.155 9.153 1.00 0.79 H new ATOM 0 HZ1 LYS A 49 4.617 -7.367 10.791 1.00 0.97 H new ATOM 0 HZ2 LYS A 49 4.759 -8.915 11.473 1.00 0.97 H new ATOM 0 HZ3 LYS A 49 6.150 -7.988 11.174 1.00 0.97 H new ATOM 765 N GLU A 50 9.157 -7.603 5.476 1.00 0.51 N ATOM 766 CA GLU A 50 10.365 -7.005 4.928 1.00 0.60 C ATOM 767 C GLU A 50 10.006 -5.620 4.388 1.00 0.51 C ATOM 768 O GLU A 50 10.468 -4.588 4.870 1.00 0.54 O ATOM 769 CB GLU A 50 10.923 -7.916 3.815 1.00 0.77 C ATOM 770 CG GLU A 50 12.402 -8.289 3.958 1.00 1.51 C ATOM 771 CD GLU A 50 13.329 -7.075 4.038 1.00 2.27 C ATOM 772 OE1 GLU A 50 13.395 -6.490 5.141 1.00 2.88 O ATOM 773 OE2 GLU A 50 13.990 -6.781 3.018 1.00 3.36 O ATOM 0 H GLU A 50 8.624 -8.157 4.806 1.00 0.51 H new ATOM 0 HA GLU A 50 11.135 -6.900 5.692 1.00 0.60 H new ATOM 0 HB2 GLU A 50 10.334 -8.833 3.789 1.00 0.77 H new ATOM 0 HB3 GLU A 50 10.781 -7.419 2.855 1.00 0.77 H new ATOM 0 HG2 GLU A 50 12.531 -8.895 4.855 1.00 1.51 H new ATOM 0 HG3 GLU A 50 12.697 -8.907 3.110 1.00 1.51 H new ATOM 780 N GLU A 51 9.137 -5.594 3.376 1.00 0.46 N ATOM 781 CA GLU A 51 8.880 -4.381 2.615 1.00 0.41 C ATOM 782 C GLU A 51 8.183 -3.358 3.518 1.00 0.35 C ATOM 783 O GLU A 51 8.417 -2.152 3.418 1.00 0.36 O ATOM 784 CB GLU A 51 8.036 -4.673 1.371 1.00 0.40 C ATOM 785 CG GLU A 51 8.301 -5.999 0.634 1.00 0.58 C ATOM 786 CD GLU A 51 9.762 -6.363 0.397 1.00 1.02 C ATOM 787 OE1 GLU A 51 10.504 -5.478 -0.073 1.00 2.20 O ATOM 788 OE2 GLU A 51 10.078 -7.564 0.592 1.00 2.01 O ATOM 0 H GLU A 51 8.600 -6.405 3.068 1.00 0.46 H new ATOM 0 HA GLU A 51 9.830 -3.972 2.271 1.00 0.41 H new ATOM 0 HB2 GLU A 51 6.986 -4.653 1.663 1.00 0.40 H new ATOM 0 HB3 GLU A 51 8.185 -3.858 0.663 1.00 0.40 H new ATOM 0 HG2 GLU A 51 7.836 -6.805 1.203 1.00 0.58 H new ATOM 0 HG3 GLU A 51 7.798 -5.959 -0.332 1.00 0.58 H new ATOM 795 N GLY A 52 7.359 -3.848 4.451 1.00 0.31 N ATOM 796 CA GLY A 52 6.797 -3.105 5.562 1.00 0.29 C ATOM 797 C GLY A 52 7.821 -2.677 6.616 1.00 0.28 C ATOM 798 O GLY A 52 7.530 -2.677 7.809 1.00 0.32 O ATOM 0 H GLY A 52 7.057 -4.822 4.443 1.00 0.31 H new ATOM 0 HA2 GLY A 52 6.299 -2.216 5.175 1.00 0.29 H new ATOM 0 HA3 GLY A 52 6.032 -3.715 6.042 1.00 0.29 H new ATOM 802 N SER A 53 9.014 -2.247 6.205 1.00 0.30 N ATOM 803 CA SER A 53 9.854 -1.335 6.966 1.00 0.34 C ATOM 804 C SER A 53 10.651 -0.423 6.027 1.00 0.39 C ATOM 805 O SER A 53 11.691 0.094 6.427 1.00 0.64 O ATOM 806 CB SER A 53 10.782 -2.134 7.891 1.00 0.44 C ATOM 807 OG SER A 53 10.057 -2.657 8.987 1.00 2.11 O ATOM 0 H SER A 53 9.427 -2.531 5.317 1.00 0.30 H new ATOM 0 HA SER A 53 9.221 -0.696 7.582 1.00 0.34 H new ATOM 0 HB2 SER A 53 11.248 -2.947 7.334 1.00 0.44 H new ATOM 0 HB3 SER A 53 11.586 -1.493 8.252 1.00 0.44 H new ATOM 0 HG SER A 53 9.113 -2.750 8.740 1.00 2.11 H new ATOM 813 N ASN A 54 10.178 -0.190 4.794 1.00 0.31 N ATOM 814 CA ASN A 54 10.983 0.504 3.789 1.00 0.44 C ATOM 815 C ASN A 54 10.235 1.634 3.094 1.00 0.46 C ATOM 816 O ASN A 54 10.846 2.652 2.771 1.00 0.59 O ATOM 817 CB ASN A 54 11.539 -0.510 2.774 1.00 0.59 C ATOM 818 CG ASN A 54 12.887 -0.103 2.179 1.00 0.86 C ATOM 819 OD1 ASN A 54 13.790 -0.919 2.065 1.00 1.48 O ATOM 820 ND2 ASN A 54 13.088 1.149 1.788 1.00 2.77 N ATOM 0 H ASN A 54 9.251 -0.470 4.475 1.00 0.31 H new ATOM 0 HA ASN A 54 11.812 0.981 4.312 1.00 0.44 H new ATOM 0 HB2 ASN A 54 11.644 -1.479 3.262 1.00 0.59 H new ATOM 0 HB3 ASN A 54 10.818 -0.636 1.966 1.00 0.59 H new ATOM 0 HD21 ASN A 54 13.989 1.423 1.397 1.00 2.77 H new ATOM 0 HD22 ASN A 54 12.341 1.838 1.879 1.00 2.77 H new ATOM 827 N LEU A 55 8.937 1.491 2.825 1.00 0.39 N ATOM 828 CA LEU A 55 8.225 2.543 2.096 1.00 0.43 C ATOM 829 C LEU A 55 8.147 3.825 2.927 1.00 0.46 C ATOM 830 O LEU A 55 8.175 4.933 2.390 1.00 0.55 O ATOM 831 CB LEU A 55 6.811 2.095 1.705 1.00 0.37 C ATOM 832 CG LEU A 55 6.750 0.741 0.997 1.00 0.40 C ATOM 833 CD1 LEU A 55 5.310 0.474 0.549 1.00 0.40 C ATOM 834 CD2 LEU A 55 7.711 0.730 -0.194 1.00 0.51 C ATOM 0 H LEU A 55 8.371 0.685 3.090 1.00 0.39 H new ATOM 0 HA LEU A 55 8.789 2.743 1.185 1.00 0.43 H new ATOM 0 HB2 LEU A 55 6.196 2.049 2.604 1.00 0.37 H new ATOM 0 HB3 LEU A 55 6.370 2.851 1.055 1.00 0.37 H new ATOM 0 HG LEU A 55 7.056 -0.051 1.681 1.00 0.40 H new ATOM 0 HD11 LEU A 55 5.259 -0.490 0.043 1.00 0.40 H new ATOM 0 HD12 LEU A 55 4.654 0.462 1.420 1.00 0.40 H new ATOM 0 HD13 LEU A 55 4.990 1.260 -0.135 1.00 0.40 H new ATOM 0 HD21 LEU A 55 7.661 -0.238 -0.693 1.00 0.51 H new ATOM 0 HD22 LEU A 55 7.429 1.515 -0.896 1.00 0.51 H new ATOM 0 HD23 LEU A 55 8.728 0.905 0.157 1.00 0.51 H new ATOM 846 N THR A 56 8.005 3.670 4.244 1.00 0.42 N ATOM 847 CA THR A 56 7.878 4.752 5.213 1.00 0.47 C ATOM 848 C THR A 56 7.686 4.123 6.596 1.00 0.43 C ATOM 849 O THR A 56 7.481 2.915 6.711 1.00 0.37 O ATOM 850 CB THR A 56 6.746 5.735 4.832 1.00 0.52 C ATOM 851 OG1 THR A 56 6.412 6.597 5.906 1.00 0.59 O ATOM 852 CG2 THR A 56 5.466 5.042 4.383 1.00 0.46 C ATOM 0 H THR A 56 7.974 2.748 4.679 1.00 0.42 H new ATOM 0 HA THR A 56 8.783 5.360 5.222 1.00 0.47 H new ATOM 0 HB THR A 56 7.152 6.304 3.995 1.00 0.52 H new ATOM 0 HG1 THR A 56 5.695 7.204 5.627 1.00 0.59 H new ATOM 0 HG21 THR A 56 4.716 5.791 4.131 1.00 0.46 H new ATOM 0 HG22 THR A 56 5.673 4.427 3.507 1.00 0.46 H new ATOM 0 HG23 THR A 56 5.092 4.411 5.189 1.00 0.46 H new ATOM 860 N SER A 57 7.694 4.938 7.652 1.00 0.49 N ATOM 861 CA SER A 57 7.255 4.534 8.976 1.00 0.50 C ATOM 862 C SER A 57 5.806 4.044 8.935 1.00 0.44 C ATOM 863 O SER A 57 5.466 3.098 9.640 1.00 0.43 O ATOM 864 CB SER A 57 7.400 5.718 9.930 1.00 0.62 C ATOM 865 OG SER A 57 8.672 6.313 9.752 1.00 0.94 O ATOM 0 H SER A 57 8.010 5.907 7.605 1.00 0.49 H new ATOM 0 HA SER A 57 7.874 3.709 9.329 1.00 0.50 H new ATOM 0 HB2 SER A 57 6.615 6.450 9.741 1.00 0.62 H new ATOM 0 HB3 SER A 57 7.283 5.385 10.961 1.00 0.62 H new ATOM 0 HG SER A 57 8.766 7.074 10.362 1.00 0.94 H new ATOM 871 N TYR A 58 4.963 4.646 8.085 1.00 0.43 N ATOM 872 CA TYR A 58 3.586 4.180 7.903 1.00 0.44 C ATOM 873 C TYR A 58 3.524 2.784 7.270 1.00 0.41 C ATOM 874 O TYR A 58 2.496 2.113 7.323 1.00 0.56 O ATOM 875 CB TYR A 58 2.748 5.171 7.077 1.00 0.53 C ATOM 876 CG TYR A 58 1.782 6.024 7.878 1.00 0.58 C ATOM 877 CD1 TYR A 58 0.981 5.445 8.883 1.00 0.59 C ATOM 878 CD2 TYR A 58 1.644 7.394 7.585 1.00 0.70 C ATOM 879 CE1 TYR A 58 0.088 6.237 9.621 1.00 0.70 C ATOM 880 CE2 TYR A 58 0.731 8.188 8.303 1.00 0.84 C ATOM 881 CZ TYR A 58 -0.047 7.612 9.333 1.00 0.84 C ATOM 882 OH TYR A 58 -0.931 8.368 10.044 1.00 1.00 O ATOM 0 H TYR A 58 5.212 5.454 7.515 1.00 0.43 H new ATOM 0 HA TYR A 58 3.156 4.117 8.903 1.00 0.44 H new ATOM 0 HB2 TYR A 58 3.425 5.830 6.534 1.00 0.53 H new ATOM 0 HB3 TYR A 58 2.182 4.611 6.332 1.00 0.53 H new ATOM 0 HD1 TYR A 58 1.055 4.387 9.086 1.00 0.59 H new ATOM 0 HD2 TYR A 58 2.243 7.838 6.804 1.00 0.70 H new ATOM 0 HE1 TYR A 58 -0.498 5.793 10.412 1.00 0.70 H new ATOM 0 HE2 TYR A 58 0.625 9.237 8.067 1.00 0.84 H new ATOM 0 HH TYR A 58 -0.902 9.294 9.723 1.00 1.00 H new ATOM 892 N GLY A 59 4.626 2.337 6.673 1.00 0.35 N ATOM 893 CA GLY A 59 4.743 1.007 6.122 1.00 0.35 C ATOM 894 C GLY A 59 5.160 0.013 7.195 1.00 0.33 C ATOM 895 O GLY A 59 5.095 -1.181 6.953 1.00 0.37 O ATOM 0 H GLY A 59 5.468 2.902 6.561 1.00 0.35 H new ATOM 0 HA2 GLY A 59 3.790 0.703 5.689 1.00 0.35 H new ATOM 0 HA3 GLY A 59 5.475 1.006 5.315 1.00 0.35 H new ATOM 899 N ARG A 60 5.581 0.473 8.376 1.00 0.32 N ATOM 900 CA ARG A 60 5.994 -0.394 9.474 1.00 0.34 C ATOM 901 C ARG A 60 4.952 -0.447 10.587 1.00 0.35 C ATOM 902 O ARG A 60 4.992 -1.350 11.418 1.00 0.47 O ATOM 903 CB ARG A 60 7.349 0.095 10.003 1.00 0.37 C ATOM 904 CG ARG A 60 8.056 -0.881 10.958 1.00 0.48 C ATOM 905 CD ARG A 60 7.805 -0.544 12.436 1.00 1.48 C ATOM 906 NE ARG A 60 8.571 -1.421 13.333 1.00 1.29 N ATOM 907 CZ ARG A 60 8.398 -1.492 14.660 1.00 2.07 C ATOM 908 NH1 ARG A 60 7.442 -0.771 15.251 1.00 3.34 N ATOM 909 NH2 ARG A 60 9.181 -2.279 15.398 1.00 1.93 N ATOM 0 H ARG A 60 5.644 1.467 8.595 1.00 0.32 H new ATOM 0 HA ARG A 60 6.091 -1.414 9.101 1.00 0.34 H new ATOM 0 HB2 ARG A 60 8.005 0.292 9.155 1.00 0.37 H new ATOM 0 HB3 ARG A 60 7.201 1.044 10.519 1.00 0.37 H new ATOM 0 HG2 ARG A 60 7.711 -1.895 10.756 1.00 0.48 H new ATOM 0 HG3 ARG A 60 9.128 -0.864 10.762 1.00 0.48 H new ATOM 0 HD2 ARG A 60 8.077 0.495 12.623 1.00 1.48 H new ATOM 0 HD3 ARG A 60 6.742 -0.639 12.655 1.00 1.48 H new ATOM 0 HE ARG A 60 9.285 -2.018 12.916 1.00 1.29 H new ATOM 0 HH11 ARG A 60 6.842 -0.165 14.692 1.00 3.34 H new ATOM 0 HH12 ARG A 60 7.312 -0.827 16.261 1.00 3.34 H new ATOM 0 HH21 ARG A 60 9.915 -2.830 14.953 1.00 1.93 H new ATOM 0 HH22 ARG A 60 9.046 -2.330 16.408 1.00 1.93 H new ATOM 923 N THR A 61 4.061 0.545 10.639 1.00 0.36 N ATOM 924 CA THR A 61 2.884 0.570 11.505 1.00 0.39 C ATOM 925 C THR A 61 1.965 -0.625 11.208 1.00 0.44 C ATOM 926 O THR A 61 2.390 -1.600 10.597 1.00 0.77 O ATOM 927 CB THR A 61 2.181 1.923 11.312 1.00 0.42 C ATOM 928 OG1 THR A 61 2.257 2.318 9.967 1.00 0.80 O ATOM 929 CG2 THR A 61 2.878 3.009 12.121 1.00 0.78 C ATOM 0 H THR A 61 4.143 1.380 10.059 1.00 0.36 H new ATOM 0 HA THR A 61 3.171 0.472 12.552 1.00 0.39 H new ATOM 0 HB THR A 61 1.147 1.801 11.634 1.00 0.42 H new ATOM 0 HG1 THR A 61 2.185 1.529 9.390 1.00 0.80 H new ATOM 0 HG21 THR A 61 2.366 3.959 11.971 1.00 0.78 H new ATOM 0 HG22 THR A 61 2.854 2.747 13.179 1.00 0.78 H new ATOM 0 HG23 THR A 61 3.913 3.099 11.793 1.00 0.78 H new ATOM 937 N ASN A 62 0.705 -0.600 11.662 1.00 0.45 N ATOM 938 CA ASN A 62 -0.174 -1.745 11.469 1.00 0.46 C ATOM 939 C ASN A 62 -0.236 -2.118 9.987 1.00 0.39 C ATOM 940 O ASN A 62 -0.119 -1.242 9.133 1.00 0.39 O ATOM 941 CB ASN A 62 -1.574 -1.436 12.015 1.00 0.60 C ATOM 942 CG ASN A 62 -2.317 -2.725 12.335 1.00 1.41 C ATOM 943 OD1 ASN A 62 -1.707 -3.715 12.715 1.00 2.15 O ATOM 944 ND2 ASN A 62 -3.633 -2.747 12.187 1.00 2.16 N ATOM 0 H ASN A 62 0.284 0.187 12.155 1.00 0.45 H new ATOM 0 HA ASN A 62 0.226 -2.597 12.019 1.00 0.46 H new ATOM 0 HB2 ASN A 62 -1.494 -0.823 12.913 1.00 0.60 H new ATOM 0 HB3 ASN A 62 -2.137 -0.857 11.283 1.00 0.60 H new ATOM 0 HD21 ASN A 62 -4.155 -3.599 12.391 1.00 2.16 H new ATOM 0 HD22 ASN A 62 -4.124 -1.912 11.869 1.00 2.16 H new ATOM 951 N GLU A 63 -0.436 -3.399 9.669 1.00 0.39 N ATOM 952 CA GLU A 63 -0.368 -3.859 8.282 1.00 0.36 C ATOM 953 C GLU A 63 -1.359 -3.078 7.416 1.00 0.34 C ATOM 954 O GLU A 63 -1.035 -2.652 6.317 1.00 0.49 O ATOM 955 CB GLU A 63 -0.584 -5.376 8.219 1.00 0.41 C ATOM 956 CG GLU A 63 -0.228 -5.962 6.842 1.00 0.73 C ATOM 957 CD GLU A 63 -1.243 -5.663 5.736 1.00 2.34 C ATOM 958 OE1 GLU A 63 -2.425 -5.435 6.080 1.00 3.57 O ATOM 959 OE2 GLU A 63 -0.807 -5.648 4.561 1.00 3.41 O ATOM 0 H GLU A 63 -0.645 -4.131 10.348 1.00 0.39 H new ATOM 0 HA GLU A 63 0.625 -3.664 7.876 1.00 0.36 H new ATOM 0 HB2 GLU A 63 0.023 -5.859 8.984 1.00 0.41 H new ATOM 0 HB3 GLU A 63 -1.625 -5.602 8.449 1.00 0.41 H new ATOM 0 HG2 GLU A 63 0.744 -5.574 6.538 1.00 0.73 H new ATOM 0 HG3 GLU A 63 -0.124 -7.043 6.938 1.00 0.73 H new ATOM 966 N ALA A 64 -2.546 -2.801 7.944 1.00 0.36 N ATOM 967 CA ALA A 64 -3.563 -2.045 7.231 1.00 0.38 C ATOM 968 C ALA A 64 -3.086 -0.664 6.774 1.00 0.33 C ATOM 969 O ALA A 64 -3.583 -0.111 5.796 1.00 0.36 O ATOM 970 CB ALA A 64 -4.775 -1.936 8.146 1.00 0.51 C ATOM 0 H ALA A 64 -2.828 -3.095 8.879 1.00 0.36 H new ATOM 0 HA ALA A 64 -3.813 -2.572 6.310 1.00 0.38 H new ATOM 0 HB1 ALA A 64 -5.561 -1.373 7.643 1.00 0.51 H new ATOM 0 HB2 ALA A 64 -5.140 -2.934 8.386 1.00 0.51 H new ATOM 0 HB3 ALA A 64 -4.492 -1.422 9.065 1.00 0.51 H new ATOM 976 N GLU A 65 -2.152 -0.062 7.501 1.00 0.34 N ATOM 977 CA GLU A 65 -1.562 1.207 7.115 1.00 0.34 C ATOM 978 C GLU A 65 -0.545 1.005 6.002 1.00 0.28 C ATOM 979 O GLU A 65 -0.539 1.780 5.053 1.00 0.34 O ATOM 980 CB GLU A 65 -0.911 1.877 8.316 1.00 0.44 C ATOM 981 CG GLU A 65 -1.911 1.932 9.467 1.00 0.58 C ATOM 982 CD GLU A 65 -1.711 3.192 10.293 1.00 0.89 C ATOM 983 OE1 GLU A 65 -2.289 4.217 9.865 1.00 1.33 O ATOM 984 OE2 GLU A 65 -0.983 3.114 11.306 1.00 2.15 O ATOM 0 H GLU A 65 -1.785 -0.442 8.373 1.00 0.34 H new ATOM 0 HA GLU A 65 -2.354 1.857 6.744 1.00 0.34 H new ATOM 0 HB2 GLU A 65 -0.022 1.323 8.618 1.00 0.44 H new ATOM 0 HB3 GLU A 65 -0.586 2.884 8.053 1.00 0.44 H new ATOM 0 HG2 GLU A 65 -2.927 1.907 9.074 1.00 0.58 H new ATOM 0 HG3 GLU A 65 -1.792 1.053 10.101 1.00 0.58 H new ATOM 991 N PHE A 66 0.285 -0.031 6.111 1.00 0.24 N ATOM 992 CA PHE A 66 1.214 -0.470 5.079 1.00 0.22 C ATOM 993 C PHE A 66 0.500 -0.679 3.740 1.00 0.21 C ATOM 994 O PHE A 66 0.943 -0.169 2.714 1.00 0.21 O ATOM 995 CB PHE A 66 1.931 -1.721 5.599 1.00 0.26 C ATOM 996 CG PHE A 66 2.640 -2.512 4.536 1.00 0.25 C ATOM 997 CD1 PHE A 66 3.957 -2.189 4.182 1.00 0.25 C ATOM 998 CD2 PHE A 66 1.978 -3.574 3.899 1.00 0.27 C ATOM 999 CE1 PHE A 66 4.604 -2.899 3.167 1.00 0.25 C ATOM 1000 CE2 PHE A 66 2.641 -4.311 2.909 1.00 0.28 C ATOM 1001 CZ PHE A 66 3.962 -3.983 2.554 1.00 0.26 C ATOM 0 H PHE A 66 0.328 -0.606 6.952 1.00 0.24 H new ATOM 0 HA PHE A 66 1.962 0.296 4.875 1.00 0.22 H new ATOM 0 HB2 PHE A 66 2.655 -1.422 6.357 1.00 0.26 H new ATOM 0 HB3 PHE A 66 1.202 -2.366 6.090 1.00 0.26 H new ATOM 0 HD1 PHE A 66 4.473 -1.390 4.694 1.00 0.25 H new ATOM 0 HD2 PHE A 66 0.963 -3.821 4.171 1.00 0.27 H new ATOM 0 HE1 PHE A 66 5.598 -2.612 2.856 1.00 0.25 H new ATOM 0 HE2 PHE A 66 2.138 -5.131 2.418 1.00 0.28 H new ATOM 0 HZ PHE A 66 4.482 -4.567 1.809 1.00 0.26 H new ATOM 1011 N PHE A 67 -0.612 -1.409 3.715 1.00 0.24 N ATOM 1012 CA PHE A 67 -1.373 -1.594 2.492 1.00 0.24 C ATOM 1013 C PHE A 67 -1.947 -0.253 2.016 1.00 0.23 C ATOM 1014 O PHE A 67 -1.862 0.087 0.838 1.00 0.25 O ATOM 1015 CB PHE A 67 -2.473 -2.635 2.727 1.00 0.31 C ATOM 1016 CG PHE A 67 -3.345 -2.832 1.504 1.00 0.34 C ATOM 1017 CD1 PHE A 67 -4.438 -1.975 1.295 1.00 0.40 C ATOM 1018 CD2 PHE A 67 -3.056 -3.842 0.571 1.00 0.38 C ATOM 1019 CE1 PHE A 67 -5.240 -2.119 0.150 1.00 0.50 C ATOM 1020 CE2 PHE A 67 -3.873 -4.002 -0.563 1.00 0.45 C ATOM 1021 CZ PHE A 67 -4.959 -3.136 -0.778 1.00 0.52 C ATOM 0 H PHE A 67 -1.003 -1.881 4.531 1.00 0.24 H new ATOM 0 HA PHE A 67 -0.719 -1.965 1.703 1.00 0.24 H new ATOM 0 HB2 PHE A 67 -2.018 -3.586 3.004 1.00 0.31 H new ATOM 0 HB3 PHE A 67 -3.093 -2.322 3.567 1.00 0.31 H new ATOM 0 HD1 PHE A 67 -4.663 -1.203 2.016 1.00 0.40 H new ATOM 0 HD2 PHE A 67 -2.209 -4.494 0.724 1.00 0.38 H new ATOM 0 HE1 PHE A 67 -6.071 -1.449 -0.016 1.00 0.50 H new ATOM 0 HE2 PHE A 67 -3.665 -4.792 -1.270 1.00 0.45 H new ATOM 0 HZ PHE A 67 -5.577 -3.252 -1.656 1.00 0.52 H new ATOM 1031 N ALA A 68 -2.555 0.520 2.917 1.00 0.25 N ATOM 1032 CA ALA A 68 -3.227 1.765 2.566 1.00 0.28 C ATOM 1033 C ALA A 68 -2.278 2.753 1.872 1.00 0.26 C ATOM 1034 O ALA A 68 -2.535 3.226 0.762 1.00 0.29 O ATOM 1035 CB ALA A 68 -3.832 2.344 3.846 1.00 0.30 C ATOM 0 H ALA A 68 -2.594 0.297 3.912 1.00 0.25 H new ATOM 0 HA ALA A 68 -4.018 1.571 1.842 1.00 0.28 H new ATOM 0 HB1 ALA A 68 -4.343 3.279 3.616 1.00 0.30 H new ATOM 0 HB2 ALA A 68 -4.545 1.634 4.265 1.00 0.30 H new ATOM 0 HB3 ALA A 68 -3.039 2.533 4.570 1.00 0.30 H new ATOM 1041 N GLU A 69 -1.167 3.082 2.528 1.00 0.30 N ATOM 1042 CA GLU A 69 -0.111 3.909 1.964 1.00 0.35 C ATOM 1043 C GLU A 69 0.487 3.281 0.703 1.00 0.33 C ATOM 1044 O GLU A 69 0.796 4.015 -0.236 1.00 0.36 O ATOM 1045 CB GLU A 69 0.932 4.257 3.039 1.00 0.62 C ATOM 1046 CG GLU A 69 1.818 3.089 3.489 1.00 1.10 C ATOM 1047 CD GLU A 69 3.239 3.117 2.931 1.00 2.33 C ATOM 1048 OE1 GLU A 69 3.512 3.942 2.029 1.00 2.77 O ATOM 1049 OE2 GLU A 69 4.060 2.352 3.480 1.00 3.70 O ATOM 0 H GLU A 69 -0.976 2.775 3.482 1.00 0.30 H new ATOM 0 HA GLU A 69 -0.542 4.854 1.634 1.00 0.35 H new ATOM 0 HB2 GLU A 69 1.572 5.052 2.658 1.00 0.62 H new ATOM 0 HB3 GLU A 69 0.413 4.656 3.911 1.00 0.62 H new ATOM 0 HG2 GLU A 69 1.869 3.088 4.578 1.00 1.10 H new ATOM 0 HG3 GLU A 69 1.343 2.154 3.191 1.00 1.10 H new ATOM 1056 N ALA A 70 0.577 1.948 0.618 1.00 0.31 N ATOM 1057 CA ALA A 70 0.982 1.322 -0.631 1.00 0.34 C ATOM 1058 C ALA A 70 0.051 1.762 -1.757 1.00 0.35 C ATOM 1059 O ALA A 70 0.546 2.142 -2.806 1.00 0.44 O ATOM 1060 CB ALA A 70 1.046 -0.206 -0.541 1.00 0.33 C ATOM 0 H ALA A 70 0.379 1.302 1.382 1.00 0.31 H new ATOM 0 HA ALA A 70 1.997 1.656 -0.846 1.00 0.34 H new ATOM 0 HB1 ALA A 70 1.354 -0.615 -1.504 1.00 0.33 H new ATOM 0 HB2 ALA A 70 1.767 -0.496 0.223 1.00 0.33 H new ATOM 0 HB3 ALA A 70 0.063 -0.597 -0.279 1.00 0.33 H new ATOM 1066 N PHE A 71 -1.272 1.752 -1.556 1.00 0.29 N ATOM 1067 CA PHE A 71 -2.253 2.162 -2.561 1.00 0.30 C ATOM 1068 C PHE A 71 -1.981 3.579 -3.058 1.00 0.29 C ATOM 1069 O PHE A 71 -1.932 3.807 -4.267 1.00 0.32 O ATOM 1070 CB PHE A 71 -3.676 2.018 -2.000 1.00 0.35 C ATOM 1071 CG PHE A 71 -4.704 1.629 -3.044 1.00 0.75 C ATOM 1072 CD1 PHE A 71 -5.265 2.601 -3.895 1.00 2.05 C ATOM 1073 CD2 PHE A 71 -5.096 0.282 -3.171 1.00 2.45 C ATOM 1074 CE1 PHE A 71 -6.208 2.226 -4.869 1.00 2.29 C ATOM 1075 CE2 PHE A 71 -6.040 -0.091 -4.142 1.00 2.85 C ATOM 1076 CZ PHE A 71 -6.595 0.879 -4.994 1.00 1.94 C ATOM 0 H PHE A 71 -1.695 1.454 -0.677 1.00 0.29 H new ATOM 0 HA PHE A 71 -2.161 1.503 -3.424 1.00 0.30 H new ATOM 0 HB2 PHE A 71 -3.672 1.268 -1.209 1.00 0.35 H new ATOM 0 HB3 PHE A 71 -3.974 2.961 -1.542 1.00 0.35 H new ATOM 0 HD1 PHE A 71 -4.971 3.636 -3.800 1.00 2.05 H new ATOM 0 HD2 PHE A 71 -4.669 -0.466 -2.520 1.00 2.45 H new ATOM 0 HE1 PHE A 71 -6.635 2.973 -5.522 1.00 2.29 H new ATOM 0 HE2 PHE A 71 -6.340 -1.125 -4.234 1.00 2.85 H new ATOM 0 HZ PHE A 71 -7.317 0.591 -5.743 1.00 1.94 H new ATOM 1086 N ARG A 72 -1.782 4.530 -2.139 1.00 0.29 N ATOM 1087 CA ARG A 72 -1.387 5.901 -2.477 1.00 0.29 C ATOM 1088 C ARG A 72 -0.219 5.865 -3.467 1.00 0.28 C ATOM 1089 O ARG A 72 -0.330 6.371 -4.583 1.00 0.36 O ATOM 1090 CB ARG A 72 -1.046 6.652 -1.178 1.00 0.31 C ATOM 1091 CG ARG A 72 -0.270 7.963 -1.364 1.00 0.36 C ATOM 1092 CD ARG A 72 0.045 8.544 0.020 1.00 0.59 C ATOM 1093 NE ARG A 72 1.257 9.371 0.024 1.00 0.77 N ATOM 1094 CZ ARG A 72 1.780 9.958 1.106 1.00 1.19 C ATOM 1095 NH1 ARG A 72 1.124 9.936 2.267 1.00 2.23 N ATOM 1096 NH2 ARG A 72 2.957 10.577 1.027 1.00 1.54 N ATOM 0 H ARG A 72 -1.891 4.370 -1.138 1.00 0.29 H new ATOM 0 HA ARG A 72 -2.201 6.437 -2.965 1.00 0.29 H new ATOM 0 HB2 ARG A 72 -1.974 6.870 -0.649 1.00 0.31 H new ATOM 0 HB3 ARG A 72 -0.462 5.991 -0.538 1.00 0.31 H new ATOM 0 HG2 ARG A 72 0.652 7.782 -1.917 1.00 0.36 H new ATOM 0 HG3 ARG A 72 -0.858 8.672 -1.947 1.00 0.36 H new ATOM 0 HD2 ARG A 72 -0.800 9.143 0.359 1.00 0.59 H new ATOM 0 HD3 ARG A 72 0.164 7.729 0.733 1.00 0.59 H new ATOM 0 HE ARG A 72 1.737 9.509 -0.865 1.00 0.77 H new ATOM 0 HH11 ARG A 72 0.219 9.470 2.333 1.00 2.23 H new ATOM 0 HH12 ARG A 72 1.527 10.385 3.089 1.00 2.23 H new ATOM 0 HH21 ARG A 72 3.461 10.604 0.140 1.00 1.54 H new ATOM 0 HH22 ARG A 72 3.354 11.024 1.853 1.00 1.54 H new ATOM 1110 N LEU A 73 0.886 5.251 -3.053 1.00 0.26 N ATOM 1111 CA LEU A 73 2.135 5.200 -3.803 1.00 0.26 C ATOM 1112 C LEU A 73 1.966 4.460 -5.122 1.00 0.30 C ATOM 1113 O LEU A 73 2.637 4.774 -6.098 1.00 0.42 O ATOM 1114 CB LEU A 73 3.227 4.569 -2.945 1.00 0.29 C ATOM 1115 CG LEU A 73 3.705 5.334 -1.686 1.00 0.31 C ATOM 1116 CD1 LEU A 73 5.164 5.798 -1.800 1.00 0.42 C ATOM 1117 CD2 LEU A 73 2.890 6.564 -1.287 1.00 0.31 C ATOM 0 H LEU A 73 0.937 4.761 -2.160 1.00 0.26 H new ATOM 0 HA LEU A 73 2.432 6.219 -4.051 1.00 0.26 H new ATOM 0 HB2 LEU A 73 2.873 3.589 -2.624 1.00 0.29 H new ATOM 0 HB3 LEU A 73 4.095 4.402 -3.582 1.00 0.29 H new ATOM 0 HG LEU A 73 3.571 4.577 -0.913 1.00 0.31 H new ATOM 0 HD11 LEU A 73 5.449 6.329 -0.892 1.00 0.42 H new ATOM 0 HD12 LEU A 73 5.812 4.932 -1.933 1.00 0.42 H new ATOM 0 HD13 LEU A 73 5.268 6.464 -2.657 1.00 0.42 H new ATOM 0 HD21 LEU A 73 3.322 7.013 -0.393 1.00 0.31 H new ATOM 0 HD22 LEU A 73 2.905 7.290 -2.100 1.00 0.31 H new ATOM 0 HD23 LEU A 73 1.861 6.268 -1.083 1.00 0.31 H new ATOM 1129 N MET A 74 1.062 3.489 -5.171 1.00 0.30 N ATOM 1130 CA MET A 74 0.847 2.625 -6.318 1.00 0.36 C ATOM 1131 C MET A 74 0.383 3.446 -7.513 1.00 0.35 C ATOM 1132 O MET A 74 0.793 3.206 -8.650 1.00 0.44 O ATOM 1133 CB MET A 74 -0.185 1.552 -5.946 1.00 0.52 C ATOM 1134 CG MET A 74 0.020 0.274 -6.743 1.00 0.83 C ATOM 1135 SD MET A 74 -0.693 0.238 -8.407 1.00 1.69 S ATOM 1136 CE MET A 74 -0.618 -1.550 -8.702 1.00 3.02 C ATOM 0 H MET A 74 0.442 3.278 -4.389 1.00 0.30 H new ATOM 0 HA MET A 74 1.780 2.135 -6.596 1.00 0.36 H new ATOM 0 HB2 MET A 74 -0.113 1.332 -4.881 1.00 0.52 H new ATOM 0 HB3 MET A 74 -1.189 1.936 -6.125 1.00 0.52 H new ATOM 0 HG2 MET A 74 1.091 0.092 -6.827 1.00 0.83 H new ATOM 0 HG3 MET A 74 -0.401 -0.555 -6.173 1.00 0.83 H new ATOM 0 HE1 MET A 74 -0.655 -1.744 -9.774 1.00 3.02 H new ATOM 0 HE2 MET A 74 0.311 -1.948 -8.293 1.00 3.02 H new ATOM 0 HE3 MET A 74 -1.465 -2.035 -8.216 1.00 3.02 H new ATOM 1146 N HIS A 75 -0.508 4.404 -7.257 1.00 0.37 N ATOM 1147 CA HIS A 75 -1.055 5.256 -8.298 1.00 0.46 C ATOM 1148 C HIS A 75 -0.318 6.586 -8.426 1.00 0.45 C ATOM 1149 O HIS A 75 -0.776 7.388 -9.242 1.00 0.76 O ATOM 1150 CB HIS A 75 -2.556 5.487 -8.067 1.00 0.57 C ATOM 1151 CG HIS A 75 -2.824 6.541 -7.026 1.00 0.56 C ATOM 1152 ND1 HIS A 75 -2.597 7.895 -7.204 1.00 0.66 N ATOM 1153 CD2 HIS A 75 -3.154 6.318 -5.721 1.00 0.73 C ATOM 1154 CE1 HIS A 75 -2.740 8.486 -6.006 1.00 0.84 C ATOM 1155 NE2 HIS A 75 -3.120 7.556 -5.105 1.00 0.88 N ATOM 0 H HIS A 75 -0.866 4.606 -6.324 1.00 0.37 H new ATOM 0 HA HIS A 75 -0.913 4.731 -9.243 1.00 0.46 H new ATOM 0 HB2 HIS A 75 -3.024 5.782 -9.006 1.00 0.57 H new ATOM 0 HB3 HIS A 75 -3.021 4.551 -7.759 1.00 0.57 H new ATOM 0 HD1 HIS A 75 -2.364 8.358 -8.082 1.00 0.66 H new ATOM 0 HD2 HIS A 75 -3.393 5.370 -5.263 1.00 0.73 H new ATOM 0 HE1 HIS A 75 -2.578 9.533 -5.798 1.00 0.84 H new ATOM 1164 N SER A 76 0.666 6.900 -7.569 1.00 0.49 N ATOM 1165 CA SER A 76 1.237 8.230 -7.428 1.00 0.45 C ATOM 1166 C SER A 76 1.352 8.934 -8.766 1.00 0.43 C ATOM 1167 O SER A 76 1.884 8.421 -9.748 1.00 0.52 O ATOM 1168 CB SER A 76 2.563 8.205 -6.665 1.00 0.50 C ATOM 1169 OG SER A 76 2.294 8.258 -5.281 1.00 1.02 O ATOM 0 H SER A 76 1.090 6.214 -6.945 1.00 0.49 H new ATOM 0 HA SER A 76 0.545 8.817 -6.823 1.00 0.45 H new ATOM 0 HB2 SER A 76 3.120 7.300 -6.906 1.00 0.50 H new ATOM 0 HB3 SER A 76 3.184 9.050 -6.961 1.00 0.50 H new ATOM 0 HG SER A 76 2.856 8.944 -4.865 1.00 1.02 H new ATOM 1175 N THR A 77 0.766 10.122 -8.788 1.00 0.57 N ATOM 1176 CA THR A 77 0.753 11.002 -9.940 1.00 0.73 C ATOM 1177 C THR A 77 2.176 11.194 -10.445 1.00 0.71 C ATOM 1178 O THR A 77 2.430 11.162 -11.646 1.00 0.82 O ATOM 1179 CB THR A 77 0.097 12.327 -9.539 1.00 0.95 C ATOM 1180 OG1 THR A 77 0.372 12.634 -8.185 1.00 1.01 O ATOM 1181 CG2 THR A 77 -1.420 12.211 -9.686 1.00 1.04 C ATOM 0 H THR A 77 0.274 10.508 -7.982 1.00 0.57 H new ATOM 0 HA THR A 77 0.173 10.570 -10.755 1.00 0.73 H new ATOM 0 HB THR A 77 0.496 13.109 -10.185 1.00 0.95 H new ATOM 0 HG1 THR A 77 -0.054 13.484 -7.949 1.00 1.01 H new ATOM 0 HG21 THR A 77 -1.886 13.154 -9.401 1.00 1.04 H new ATOM 0 HG22 THR A 77 -1.669 11.982 -10.722 1.00 1.04 H new ATOM 0 HG23 THR A 77 -1.788 11.414 -9.040 1.00 1.04 H new ATOM 1189 N ASP A 78 3.118 11.339 -9.515 1.00 0.63 N ATOM 1190 CA ASP A 78 4.507 11.173 -9.881 1.00 0.57 C ATOM 1191 C ASP A 78 4.793 9.695 -10.133 1.00 0.52 C ATOM 1192 O ASP A 78 4.855 8.879 -9.213 1.00 0.50 O ATOM 1193 CB ASP A 78 5.439 11.729 -8.812 1.00 0.61 C ATOM 1194 CG ASP A 78 6.869 11.387 -9.211 1.00 0.68 C ATOM 1195 OD1 ASP A 78 7.141 11.363 -10.436 1.00 1.82 O ATOM 1196 OD2 ASP A 78 7.642 11.031 -8.300 1.00 1.68 O ATOM 0 H ASP A 78 2.946 11.564 -8.535 1.00 0.63 H new ATOM 0 HA ASP A 78 4.694 11.738 -10.794 1.00 0.57 H new ATOM 0 HB2 ASP A 78 5.316 12.808 -8.723 1.00 0.61 H new ATOM 0 HB3 ASP A 78 5.202 11.300 -7.839 1.00 0.61 H new ATOM 1201 N HIS A 79 5.031 9.358 -11.399 1.00 0.54 N ATOM 1202 CA HIS A 79 5.508 8.043 -11.796 1.00 0.52 C ATOM 1203 C HIS A 79 6.684 7.574 -10.937 1.00 0.49 C ATOM 1204 O HIS A 79 6.767 6.392 -10.611 1.00 0.49 O ATOM 1205 CB HIS A 79 5.859 8.034 -13.290 1.00 0.63 C ATOM 1206 CG HIS A 79 7.126 8.775 -13.661 1.00 1.92 C ATOM 1207 ND1 HIS A 79 8.167 8.251 -14.407 1.00 3.05 N ATOM 1208 CD2 HIS A 79 7.463 10.057 -13.310 1.00 3.56 C ATOM 1209 CE1 HIS A 79 9.120 9.199 -14.501 1.00 4.27 C ATOM 1210 NE2 HIS A 79 8.714 10.301 -13.838 1.00 4.59 N ATOM 0 H HIS A 79 4.896 9.998 -12.182 1.00 0.54 H new ATOM 0 HA HIS A 79 4.701 7.329 -11.628 1.00 0.52 H new ATOM 0 HB2 HIS A 79 5.954 6.999 -13.618 1.00 0.63 H new ATOM 0 HB3 HIS A 79 5.028 8.469 -13.844 1.00 0.63 H new ATOM 0 HD2 HIS A 79 6.864 10.744 -12.731 1.00 3.56 H new ATOM 0 HE1 HIS A 79 10.059 9.093 -15.024 1.00 4.27 H new ATOM 0 HE2 HIS A 79 9.242 11.168 -13.743 1.00 4.59 H new ATOM 1219 N ALA A 80 7.607 8.471 -10.592 1.00 0.51 N ATOM 1220 CA ALA A 80 8.809 8.090 -9.873 1.00 0.52 C ATOM 1221 C ALA A 80 8.442 7.496 -8.523 1.00 0.45 C ATOM 1222 O ALA A 80 8.941 6.433 -8.176 1.00 0.44 O ATOM 1223 CB ALA A 80 9.748 9.275 -9.682 1.00 0.60 C ATOM 0 H ALA A 80 7.540 9.467 -10.802 1.00 0.51 H new ATOM 0 HA ALA A 80 9.331 7.342 -10.470 1.00 0.52 H new ATOM 0 HB1 ALA A 80 10.637 8.951 -9.140 1.00 0.60 H new ATOM 0 HB2 ALA A 80 10.040 9.668 -10.656 1.00 0.60 H new ATOM 0 HB3 ALA A 80 9.240 10.054 -9.114 1.00 0.60 H new ATOM 1229 N GLU A 81 7.567 8.160 -7.763 1.00 0.45 N ATOM 1230 CA GLU A 81 7.068 7.683 -6.486 1.00 0.43 C ATOM 1231 C GLU A 81 6.607 6.238 -6.569 1.00 0.36 C ATOM 1232 O GLU A 81 6.872 5.437 -5.671 1.00 0.36 O ATOM 1233 CB GLU A 81 5.953 8.600 -5.988 1.00 0.47 C ATOM 1234 CG GLU A 81 6.493 9.727 -5.104 1.00 0.90 C ATOM 1235 CD GLU A 81 5.375 10.660 -4.632 1.00 1.70 C ATOM 1236 OE1 GLU A 81 4.192 10.284 -4.814 1.00 2.53 O ATOM 1237 OE2 GLU A 81 5.723 11.719 -4.067 1.00 2.75 O ATOM 0 H GLU A 81 7.181 9.065 -8.032 1.00 0.45 H new ATOM 0 HA GLU A 81 7.885 7.709 -5.765 1.00 0.43 H new ATOM 0 HB2 GLU A 81 5.427 9.028 -6.841 1.00 0.47 H new ATOM 0 HB3 GLU A 81 5.225 8.015 -5.426 1.00 0.47 H new ATOM 0 HG2 GLU A 81 7.000 9.300 -4.239 1.00 0.90 H new ATOM 0 HG3 GLU A 81 7.236 10.300 -5.658 1.00 0.90 H new ATOM 1244 N ARG A 82 5.963 5.880 -7.672 1.00 0.32 N ATOM 1245 CA ARG A 82 5.502 4.508 -7.822 1.00 0.29 C ATOM 1246 C ARG A 82 6.709 3.590 -7.901 1.00 0.29 C ATOM 1247 O ARG A 82 6.757 2.566 -7.227 1.00 0.27 O ATOM 1248 CB ARG A 82 4.669 4.349 -9.088 1.00 0.29 C ATOM 1249 CG ARG A 82 3.470 5.292 -9.070 1.00 0.33 C ATOM 1250 CD ARG A 82 3.004 5.556 -10.493 1.00 0.35 C ATOM 1251 NE ARG A 82 1.777 4.813 -10.795 1.00 0.50 N ATOM 1252 CZ ARG A 82 0.826 5.181 -11.657 1.00 1.42 C ATOM 1253 NH1 ARG A 82 0.873 6.377 -12.243 1.00 2.67 N ATOM 1254 NH2 ARG A 82 -0.173 4.338 -11.922 1.00 1.45 N ATOM 0 H ARG A 82 5.753 6.500 -8.454 1.00 0.32 H new ATOM 0 HA ARG A 82 4.881 4.251 -6.964 1.00 0.29 H new ATOM 0 HB2 ARG A 82 5.286 4.555 -9.963 1.00 0.29 H new ATOM 0 HB3 ARG A 82 4.325 3.318 -9.175 1.00 0.29 H new ATOM 0 HG2 ARG A 82 2.660 4.854 -8.487 1.00 0.33 H new ATOM 0 HG3 ARG A 82 3.740 6.230 -8.586 1.00 0.33 H new ATOM 0 HD2 ARG A 82 2.829 6.623 -10.629 1.00 0.35 H new ATOM 0 HD3 ARG A 82 3.788 5.270 -11.194 1.00 0.35 H new ATOM 0 HE ARG A 82 1.636 3.932 -10.300 1.00 0.50 H new ATOM 0 HH11 ARG A 82 1.639 7.018 -12.034 1.00 2.67 H new ATOM 0 HH12 ARG A 82 0.143 6.652 -12.901 1.00 2.67 H new ATOM 0 HH21 ARG A 82 -0.204 3.425 -11.468 1.00 1.45 H new ATOM 0 HH22 ARG A 82 -0.906 4.606 -12.578 1.00 1.45 H new ATOM 1268 N LEU A 83 7.694 3.950 -8.727 1.00 0.34 N ATOM 1269 CA LEU A 83 8.941 3.207 -8.798 1.00 0.39 C ATOM 1270 C LEU A 83 9.694 3.212 -7.473 1.00 0.40 C ATOM 1271 O LEU A 83 10.436 2.267 -7.237 1.00 0.43 O ATOM 1272 CB LEU A 83 9.865 3.688 -9.921 1.00 0.48 C ATOM 1273 CG LEU A 83 9.493 3.189 -11.324 1.00 0.53 C ATOM 1274 CD1 LEU A 83 8.985 1.746 -11.355 1.00 0.51 C ATOM 1275 CD2 LEU A 83 8.446 4.083 -11.985 1.00 0.55 C ATOM 0 H LEU A 83 7.646 4.753 -9.354 1.00 0.34 H new ATOM 0 HA LEU A 83 8.645 2.183 -9.027 1.00 0.39 H new ATOM 0 HB2 LEU A 83 9.867 4.778 -9.928 1.00 0.48 H new ATOM 0 HB3 LEU A 83 10.883 3.369 -9.696 1.00 0.48 H new ATOM 0 HG LEU A 83 10.429 3.228 -11.881 1.00 0.53 H new ATOM 0 HD11 LEU A 83 8.743 1.467 -12.381 1.00 0.51 H new ATOM 0 HD12 LEU A 83 9.758 1.080 -10.971 1.00 0.51 H new ATOM 0 HD13 LEU A 83 8.092 1.661 -10.736 1.00 0.51 H new ATOM 0 HD21 LEU A 83 8.210 3.696 -12.976 1.00 0.55 H new ATOM 0 HD22 LEU A 83 7.542 4.096 -11.376 1.00 0.55 H new ATOM 0 HD23 LEU A 83 8.837 5.096 -12.075 1.00 0.55 H new ATOM 1287 N LYS A 84 9.541 4.207 -6.592 1.00 0.41 N ATOM 1288 CA LYS A 84 10.158 4.090 -5.273 1.00 0.43 C ATOM 1289 C LYS A 84 9.537 2.898 -4.558 1.00 0.40 C ATOM 1290 O LYS A 84 10.265 2.137 -3.934 1.00 0.50 O ATOM 1291 CB LYS A 84 10.023 5.368 -4.424 1.00 0.47 C ATOM 1292 CG LYS A 84 11.140 6.408 -4.645 1.00 0.61 C ATOM 1293 CD LYS A 84 10.658 7.620 -5.451 1.00 0.92 C ATOM 1294 CE LYS A 84 11.731 8.705 -5.591 1.00 0.97 C ATOM 1295 NZ LYS A 84 11.688 9.683 -4.480 1.00 1.37 N ATOM 0 H LYS A 84 9.018 5.066 -6.759 1.00 0.41 H new ATOM 0 HA LYS A 84 11.229 3.942 -5.411 1.00 0.43 H new ATOM 0 HB2 LYS A 84 9.062 5.834 -4.643 1.00 0.47 H new ATOM 0 HB3 LYS A 84 10.008 5.088 -3.371 1.00 0.47 H new ATOM 0 HG2 LYS A 84 11.516 6.744 -3.679 1.00 0.61 H new ATOM 0 HG3 LYS A 84 11.974 5.937 -5.166 1.00 0.61 H new ATOM 0 HD2 LYS A 84 10.349 7.291 -6.443 1.00 0.92 H new ATOM 0 HD3 LYS A 84 9.778 8.045 -4.968 1.00 0.92 H new ATOM 0 HE2 LYS A 84 12.715 8.238 -5.623 1.00 0.97 H new ATOM 0 HE3 LYS A 84 11.595 9.228 -6.538 1.00 0.97 H new ATOM 0 HZ1 LYS A 84 12.431 10.397 -4.617 1.00 1.37 H new ATOM 0 HZ2 LYS A 84 10.759 10.149 -4.464 1.00 1.37 H new ATOM 0 HZ3 LYS A 84 11.844 9.190 -3.578 1.00 1.37 H new ATOM 1309 N VAL A 85 8.219 2.710 -4.647 1.00 0.31 N ATOM 1310 CA VAL A 85 7.612 1.503 -4.100 1.00 0.27 C ATOM 1311 C VAL A 85 8.114 0.261 -4.821 1.00 0.26 C ATOM 1312 O VAL A 85 8.720 -0.566 -4.160 1.00 0.39 O ATOM 1313 CB VAL A 85 6.084 1.603 -4.029 1.00 0.26 C ATOM 1314 CG1 VAL A 85 5.387 0.276 -3.702 1.00 0.30 C ATOM 1315 CG2 VAL A 85 5.788 2.584 -2.908 1.00 0.36 C ATOM 0 H VAL A 85 7.567 3.363 -5.082 1.00 0.31 H new ATOM 0 HA VAL A 85 7.935 1.404 -3.064 1.00 0.27 H new ATOM 0 HB VAL A 85 5.709 1.910 -5.005 1.00 0.26 H new ATOM 0 HG11 VAL A 85 4.308 0.430 -3.670 1.00 0.30 H new ATOM 0 HG12 VAL A 85 5.626 -0.459 -4.470 1.00 0.30 H new ATOM 0 HG13 VAL A 85 5.731 -0.087 -2.733 1.00 0.30 H new ATOM 0 HG21 VAL A 85 4.709 2.702 -2.803 1.00 0.36 H new ATOM 0 HG22 VAL A 85 6.204 2.206 -1.974 1.00 0.36 H new ATOM 0 HG23 VAL A 85 6.238 3.549 -3.141 1.00 0.36 H new ATOM 1325 N GLN A 86 7.896 0.088 -6.128 1.00 0.27 N ATOM 1326 CA GLN A 86 8.290 -1.155 -6.797 1.00 0.29 C ATOM 1327 C GLN A 86 9.734 -1.527 -6.461 1.00 0.37 C ATOM 1328 O GLN A 86 10.018 -2.653 -6.064 1.00 0.48 O ATOM 1329 CB GLN A 86 8.127 -1.057 -8.326 1.00 0.35 C ATOM 1330 CG GLN A 86 6.789 -1.618 -8.824 1.00 0.60 C ATOM 1331 CD GLN A 86 6.910 -2.267 -10.203 1.00 1.03 C ATOM 1332 OE1 GLN A 86 7.754 -3.126 -10.420 1.00 1.67 O ATOM 1333 NE2 GLN A 86 6.062 -1.903 -11.155 1.00 2.24 N ATOM 0 H GLN A 86 7.457 0.780 -6.735 1.00 0.27 H new ATOM 0 HA GLN A 86 7.624 -1.935 -6.428 1.00 0.29 H new ATOM 0 HB2 GLN A 86 8.212 -0.013 -8.629 1.00 0.35 H new ATOM 0 HB3 GLN A 86 8.943 -1.596 -8.808 1.00 0.35 H new ATOM 0 HG2 GLN A 86 6.417 -2.353 -8.110 1.00 0.60 H new ATOM 0 HG3 GLN A 86 6.054 -0.815 -8.866 1.00 0.60 H new ATOM 0 HE21 GLN A 86 5.361 -1.186 -10.967 1.00 2.24 H new ATOM 0 HE22 GLN A 86 6.111 -2.340 -12.075 1.00 2.24 H new ATOM 1342 N LYS A 87 10.646 -0.568 -6.604 1.00 0.39 N ATOM 1343 CA LYS A 87 12.049 -0.740 -6.295 1.00 0.52 C ATOM 1344 C LYS A 87 12.245 -1.183 -4.847 1.00 0.55 C ATOM 1345 O LYS A 87 12.939 -2.163 -4.595 1.00 0.61 O ATOM 1346 CB LYS A 87 12.776 0.576 -6.592 1.00 0.68 C ATOM 1347 CG LYS A 87 14.268 0.380 -6.353 1.00 0.76 C ATOM 1348 CD LYS A 87 15.090 1.597 -6.769 1.00 0.80 C ATOM 1349 CE LYS A 87 16.439 1.059 -7.246 1.00 1.77 C ATOM 1350 NZ LYS A 87 17.458 2.121 -7.380 1.00 1.95 N ATOM 0 H LYS A 87 10.418 0.366 -6.945 1.00 0.39 H new ATOM 0 HA LYS A 87 12.471 -1.530 -6.917 1.00 0.52 H new ATOM 0 HB2 LYS A 87 12.596 0.882 -7.623 1.00 0.68 H new ATOM 0 HB3 LYS A 87 12.393 1.371 -5.952 1.00 0.68 H new ATOM 0 HG2 LYS A 87 14.440 0.173 -5.297 1.00 0.76 H new ATOM 0 HG3 LYS A 87 14.610 -0.493 -6.908 1.00 0.76 H new ATOM 0 HD2 LYS A 87 14.590 2.152 -7.563 1.00 0.80 H new ATOM 0 HD3 LYS A 87 15.219 2.284 -5.933 1.00 0.80 H new ATOM 0 HE2 LYS A 87 16.795 0.306 -6.543 1.00 1.77 H new ATOM 0 HE3 LYS A 87 16.309 0.562 -8.207 1.00 1.77 H new ATOM 0 HZ1 LYS A 87 18.353 1.704 -7.706 1.00 1.95 H new ATOM 0 HZ2 LYS A 87 17.134 2.828 -8.070 1.00 1.95 H new ATOM 0 HZ3 LYS A 87 17.605 2.579 -6.458 1.00 1.95 H new ATOM 1364 N ASN A 88 11.676 -0.445 -3.895 1.00 0.53 N ATOM 1365 CA ASN A 88 11.911 -0.675 -2.473 1.00 0.58 C ATOM 1366 C ASN A 88 10.920 -1.691 -1.905 1.00 0.81 C ATOM 1367 O ASN A 88 10.822 -1.820 -0.687 1.00 1.40 O ATOM 1368 CB ASN A 88 11.786 0.639 -1.686 1.00 0.61 C ATOM 1369 CG ASN A 88 12.742 1.732 -2.151 1.00 0.56 C ATOM 1370 OD1 ASN A 88 13.713 1.489 -2.860 1.00 0.84 O ATOM 1371 ND2 ASN A 88 12.494 2.969 -1.741 1.00 1.12 N ATOM 0 H ASN A 88 11.040 0.328 -4.089 1.00 0.53 H new ATOM 0 HA ASN A 88 12.922 -1.070 -2.370 1.00 0.58 H new ATOM 0 HB2 ASN A 88 10.763 1.005 -1.770 1.00 0.61 H new ATOM 0 HB3 ASN A 88 11.967 0.437 -0.630 1.00 0.61 H new ATOM 0 HD21 ASN A 88 13.114 3.731 -2.015 1.00 1.12 H new ATOM 0 HD22 ASN A 88 11.683 3.158 -1.152 1.00 1.12 H new ATOM 1378 N ALA A 89 10.145 -2.361 -2.761 1.00 0.47 N ATOM 1379 CA ALA A 89 9.126 -3.311 -2.373 1.00 0.50 C ATOM 1380 C ALA A 89 8.723 -4.138 -3.597 1.00 0.50 C ATOM 1381 O ALA A 89 7.598 -3.994 -4.089 1.00 0.43 O ATOM 1382 CB ALA A 89 7.915 -2.548 -1.838 1.00 0.44 C ATOM 0 H ALA A 89 10.220 -2.247 -3.772 1.00 0.47 H new ATOM 0 HA ALA A 89 9.505 -3.977 -1.598 1.00 0.50 H new ATOM 0 HB1 ALA A 89 7.140 -3.256 -1.543 1.00 0.44 H new ATOM 0 HB2 ALA A 89 8.212 -1.954 -0.974 1.00 0.44 H new ATOM 0 HB3 ALA A 89 7.527 -1.890 -2.615 1.00 0.44 H new ATOM 1388 N PRO A 90 9.618 -5.004 -4.099 1.00 0.68 N ATOM 1389 CA PRO A 90 9.467 -5.717 -5.366 1.00 0.82 C ATOM 1390 C PRO A 90 8.564 -6.950 -5.226 1.00 1.02 C ATOM 1391 O PRO A 90 8.976 -8.075 -5.495 1.00 2.09 O ATOM 1392 CB PRO A 90 10.906 -6.074 -5.761 1.00 1.04 C ATOM 1393 CG PRO A 90 11.589 -6.292 -4.411 1.00 1.05 C ATOM 1394 CD PRO A 90 10.955 -5.198 -3.559 1.00 0.85 C ATOM 0 HA PRO A 90 8.973 -5.118 -6.131 1.00 0.82 H new ATOM 0 HB2 PRO A 90 10.944 -6.969 -6.382 1.00 1.04 H new ATOM 0 HB3 PRO A 90 11.380 -5.273 -6.328 1.00 1.04 H new ATOM 0 HG2 PRO A 90 11.394 -7.287 -4.010 1.00 1.05 H new ATOM 0 HG3 PRO A 90 12.671 -6.182 -4.478 1.00 1.05 H new ATOM 0 HD2 PRO A 90 10.915 -5.492 -2.510 1.00 0.85 H new ATOM 0 HD3 PRO A 90 11.535 -4.277 -3.610 1.00 0.85 H new ATOM 1402 N LYS A 91 7.327 -6.729 -4.769 1.00 0.42 N ATOM 1403 CA LYS A 91 6.330 -7.706 -4.355 1.00 0.44 C ATOM 1404 C LYS A 91 5.104 -6.987 -3.780 1.00 0.41 C ATOM 1405 O LYS A 91 3.987 -7.273 -4.194 1.00 0.47 O ATOM 1406 CB LYS A 91 6.952 -8.712 -3.381 1.00 0.52 C ATOM 1407 CG LYS A 91 7.771 -8.046 -2.260 1.00 1.17 C ATOM 1408 CD LYS A 91 8.883 -8.962 -1.757 1.00 1.31 C ATOM 1409 CE LYS A 91 8.464 -9.618 -0.435 1.00 1.87 C ATOM 1410 NZ LYS A 91 9.581 -10.306 0.234 1.00 2.32 N ATOM 0 H LYS A 91 6.973 -5.777 -4.673 1.00 0.42 H new ATOM 0 HA LYS A 91 5.985 -8.279 -5.216 1.00 0.44 H new ATOM 0 HB2 LYS A 91 6.160 -9.313 -2.935 1.00 0.52 H new ATOM 0 HB3 LYS A 91 7.596 -9.394 -3.936 1.00 0.52 H new ATOM 0 HG2 LYS A 91 8.204 -7.116 -2.628 1.00 1.17 H new ATOM 0 HG3 LYS A 91 7.111 -7.785 -1.432 1.00 1.17 H new ATOM 0 HD2 LYS A 91 9.098 -9.729 -2.501 1.00 1.31 H new ATOM 0 HD3 LYS A 91 9.800 -8.390 -1.614 1.00 1.31 H new ATOM 0 HE2 LYS A 91 8.059 -8.857 0.232 1.00 1.87 H new ATOM 0 HE3 LYS A 91 7.664 -10.333 -0.626 1.00 1.87 H new ATOM 0 HZ1 LYS A 91 9.219 -11.129 0.756 1.00 2.32 H new ATOM 0 HZ2 LYS A 91 10.270 -10.623 -0.478 1.00 2.32 H new ATOM 0 HZ3 LYS A 91 10.044 -9.652 0.897 1.00 2.32 H new ATOM 1424 N THR A 92 5.279 -6.011 -2.882 1.00 0.36 N ATOM 1425 CA THR A 92 4.164 -5.229 -2.341 1.00 0.33 C ATOM 1426 C THR A 92 3.358 -4.583 -3.456 1.00 0.33 C ATOM 1427 O THR A 92 2.136 -4.653 -3.452 1.00 0.37 O ATOM 1428 CB THR A 92 4.691 -4.152 -1.399 1.00 0.29 C ATOM 1429 OG1 THR A 92 5.601 -4.781 -0.535 1.00 0.30 O ATOM 1430 CG2 THR A 92 3.609 -3.472 -0.556 1.00 0.33 C ATOM 0 H THR A 92 6.191 -5.743 -2.513 1.00 0.36 H new ATOM 0 HA THR A 92 3.511 -5.907 -1.791 1.00 0.33 H new ATOM 0 HB THR A 92 5.139 -3.365 -2.006 1.00 0.29 H new ATOM 0 HG1 THR A 92 5.687 -4.256 0.288 1.00 0.30 H new ATOM 0 HG21 THR A 92 4.067 -2.720 0.086 1.00 0.33 H new ATOM 0 HG22 THR A 92 2.882 -2.994 -1.213 1.00 0.33 H new ATOM 0 HG23 THR A 92 3.106 -4.217 0.060 1.00 0.33 H new ATOM 1438 N PHE A 93 4.024 -3.970 -4.435 1.00 0.32 N ATOM 1439 CA PHE A 93 3.308 -3.394 -5.570 1.00 0.37 C ATOM 1440 C PHE A 93 2.436 -4.437 -6.234 1.00 0.44 C ATOM 1441 O PHE A 93 1.264 -4.208 -6.520 1.00 0.48 O ATOM 1442 CB PHE A 93 4.315 -2.877 -6.590 1.00 0.43 C ATOM 1443 CG PHE A 93 3.746 -1.922 -7.621 1.00 0.63 C ATOM 1444 CD1 PHE A 93 3.750 -0.536 -7.378 1.00 1.38 C ATOM 1445 CD2 PHE A 93 3.246 -2.415 -8.843 1.00 1.91 C ATOM 1446 CE1 PHE A 93 3.265 0.353 -8.353 1.00 1.41 C ATOM 1447 CE2 PHE A 93 2.754 -1.526 -9.814 1.00 2.10 C ATOM 1448 CZ PHE A 93 2.761 -0.141 -9.568 1.00 1.12 C ATOM 0 H PHE A 93 5.038 -3.861 -4.465 1.00 0.32 H new ATOM 0 HA PHE A 93 2.680 -2.580 -5.208 1.00 0.37 H new ATOM 0 HB2 PHE A 93 5.124 -2.375 -6.059 1.00 0.43 H new ATOM 0 HB3 PHE A 93 4.755 -3.729 -7.109 1.00 0.43 H new ATOM 0 HD1 PHE A 93 4.126 -0.154 -6.440 1.00 1.38 H new ATOM 0 HD2 PHE A 93 3.241 -3.478 -9.034 1.00 1.91 H new ATOM 0 HE1 PHE A 93 3.280 1.417 -8.168 1.00 1.41 H new ATOM 0 HE2 PHE A 93 2.370 -1.906 -10.749 1.00 2.10 H new ATOM 0 HZ PHE A 93 2.379 0.542 -10.312 1.00 1.12 H new ATOM 1458 N GLN A 94 3.044 -5.595 -6.465 1.00 0.49 N ATOM 1459 CA GLN A 94 2.371 -6.721 -7.067 1.00 0.62 C ATOM 1460 C GLN A 94 1.141 -7.135 -6.258 1.00 0.66 C ATOM 1461 O GLN A 94 0.193 -7.641 -6.839 1.00 0.79 O ATOM 1462 CB GLN A 94 3.345 -7.894 -7.251 1.00 0.69 C ATOM 1463 CG GLN A 94 3.645 -8.112 -8.735 1.00 1.24 C ATOM 1464 CD GLN A 94 4.721 -9.177 -8.941 1.00 1.50 C ATOM 1465 OE1 GLN A 94 5.246 -9.747 -7.992 1.00 1.33 O ATOM 1466 NE2 GLN A 94 5.076 -9.462 -10.187 1.00 2.42 N ATOM 0 H GLN A 94 4.022 -5.772 -6.236 1.00 0.49 H new ATOM 0 HA GLN A 94 2.018 -6.418 -8.053 1.00 0.62 H new ATOM 0 HB2 GLN A 94 4.271 -7.694 -6.712 1.00 0.69 H new ATOM 0 HB3 GLN A 94 2.917 -8.801 -6.823 1.00 0.69 H new ATOM 0 HG2 GLN A 94 2.733 -8.411 -9.251 1.00 1.24 H new ATOM 0 HG3 GLN A 94 3.971 -7.173 -9.183 1.00 1.24 H new ATOM 0 HE21 GLN A 94 4.630 -8.979 -10.967 1.00 2.42 H new ATOM 0 HE22 GLN A 94 5.795 -10.164 -10.365 1.00 2.42 H new ATOM 1475 N PHE A 95 1.132 -6.920 -4.941 1.00 0.59 N ATOM 1476 CA PHE A 95 0.019 -7.284 -4.070 1.00 0.63 C ATOM 1477 C PHE A 95 -1.233 -6.501 -4.463 1.00 0.58 C ATOM 1478 O PHE A 95 -2.287 -7.079 -4.727 1.00 0.72 O ATOM 1479 CB PHE A 95 0.418 -7.009 -2.612 1.00 0.65 C ATOM 1480 CG PHE A 95 -0.448 -7.660 -1.557 1.00 0.83 C ATOM 1481 CD1 PHE A 95 -1.761 -7.208 -1.340 1.00 0.92 C ATOM 1482 CD2 PHE A 95 0.091 -8.665 -0.734 1.00 1.02 C ATOM 1483 CE1 PHE A 95 -2.532 -7.759 -0.300 1.00 1.16 C ATOM 1484 CE2 PHE A 95 -0.673 -9.212 0.310 1.00 1.26 C ATOM 1485 CZ PHE A 95 -1.985 -8.757 0.527 1.00 1.31 C ATOM 0 H PHE A 95 1.909 -6.482 -4.446 1.00 0.59 H new ATOM 0 HA PHE A 95 -0.210 -8.344 -4.177 1.00 0.63 H new ATOM 0 HB2 PHE A 95 1.446 -7.343 -2.468 1.00 0.65 H new ATOM 0 HB3 PHE A 95 0.407 -5.931 -2.450 1.00 0.65 H new ATOM 0 HD1 PHE A 95 -2.178 -6.438 -1.972 1.00 0.92 H new ATOM 0 HD2 PHE A 95 1.097 -9.018 -0.906 1.00 1.02 H new ATOM 0 HE1 PHE A 95 -3.543 -7.416 -0.137 1.00 1.16 H new ATOM 0 HE2 PHE A 95 -0.254 -9.979 0.944 1.00 1.26 H new ATOM 0 HZ PHE A 95 -2.574 -9.174 1.330 1.00 1.31 H new ATOM 1495 N ILE A 96 -1.126 -5.172 -4.492 1.00 0.47 N ATOM 1496 CA ILE A 96 -2.225 -4.314 -4.909 1.00 0.51 C ATOM 1497 C ILE A 96 -2.577 -4.653 -6.356 1.00 0.61 C ATOM 1498 O ILE A 96 -3.749 -4.724 -6.707 1.00 0.74 O ATOM 1499 CB ILE A 96 -1.896 -2.821 -4.703 1.00 0.54 C ATOM 1500 CG1 ILE A 96 -1.844 -2.497 -3.201 1.00 0.72 C ATOM 1501 CG2 ILE A 96 -2.981 -1.931 -5.318 1.00 0.66 C ATOM 1502 CD1 ILE A 96 -0.419 -2.538 -2.673 1.00 0.87 C ATOM 0 H ILE A 96 -0.280 -4.667 -4.228 1.00 0.47 H new ATOM 0 HA ILE A 96 -3.099 -4.499 -4.284 1.00 0.51 H new ATOM 0 HB ILE A 96 -0.935 -2.630 -5.181 1.00 0.54 H new ATOM 0 HG12 ILE A 96 -2.270 -1.509 -3.025 1.00 0.72 H new ATOM 0 HG13 ILE A 96 -2.458 -3.211 -2.652 1.00 0.72 H new ATOM 0 HG21 ILE A 96 -2.725 -0.883 -5.159 1.00 0.66 H new ATOM 0 HG22 ILE A 96 -3.051 -2.129 -6.388 1.00 0.66 H new ATOM 0 HG23 ILE A 96 -3.939 -2.146 -4.845 1.00 0.66 H new ATOM 0 HD11 ILE A 96 -0.419 -2.304 -1.608 1.00 0.87 H new ATOM 0 HD12 ILE A 96 -0.003 -3.534 -2.826 1.00 0.87 H new ATOM 0 HD13 ILE A 96 0.188 -1.805 -3.205 1.00 0.87 H new ATOM 1514 N ASN A 97 -1.563 -4.868 -7.194 1.00 0.62 N ATOM 1515 CA ASN A 97 -1.771 -5.159 -8.604 1.00 0.78 C ATOM 1516 C ASN A 97 -2.622 -6.416 -8.808 1.00 0.87 C ATOM 1517 O ASN A 97 -3.418 -6.482 -9.738 1.00 0.99 O ATOM 1518 CB ASN A 97 -0.420 -5.327 -9.301 1.00 0.90 C ATOM 1519 CG ASN A 97 -0.562 -5.112 -10.798 1.00 1.21 C ATOM 1520 OD1 ASN A 97 -0.592 -3.977 -11.255 1.00 1.38 O ATOM 1521 ND2 ASN A 97 -0.627 -6.177 -11.587 1.00 2.08 N ATOM 0 H ASN A 97 -0.583 -4.845 -6.913 1.00 0.62 H new ATOM 0 HA ASN A 97 -2.312 -4.320 -9.041 1.00 0.78 H new ATOM 0 HB2 ASN A 97 0.297 -4.616 -8.892 1.00 0.90 H new ATOM 0 HB3 ASN A 97 -0.026 -6.325 -9.107 1.00 0.90 H new ATOM 0 HD21 ASN A 97 -0.704 -6.059 -12.597 1.00 2.08 H new ATOM 0 HD22 ASN A 97 -0.600 -7.113 -11.183 1.00 2.08 H new ATOM 1528 N ASP A 98 -2.414 -7.422 -7.959 1.00 0.84 N ATOM 1529 CA ASP A 98 -3.178 -8.664 -7.906 1.00 0.97 C ATOM 1530 C ASP A 98 -4.636 -8.339 -7.585 1.00 0.97 C ATOM 1531 O ASP A 98 -5.554 -8.772 -8.279 1.00 1.07 O ATOM 1532 CB ASP A 98 -2.592 -9.583 -6.815 1.00 0.99 C ATOM 1533 CG ASP A 98 -1.979 -10.869 -7.361 1.00 1.39 C ATOM 1534 OD1 ASP A 98 -2.712 -11.876 -7.455 1.00 1.79 O ATOM 1535 OD2 ASP A 98 -0.745 -10.893 -7.570 1.00 2.73 O ATOM 0 H ASP A 98 -1.674 -7.390 -7.258 1.00 0.84 H new ATOM 0 HA ASP A 98 -3.123 -9.175 -8.867 1.00 0.97 H new ATOM 0 HB2 ASP A 98 -1.830 -9.034 -6.261 1.00 0.99 H new ATOM 0 HB3 ASP A 98 -3.380 -9.839 -6.106 1.00 0.99 H new ATOM 1540 N GLN A 99 -4.854 -7.584 -6.506 1.00 0.91 N ATOM 1541 CA GLN A 99 -6.187 -7.234 -6.043 1.00 0.96 C ATOM 1542 C GLN A 99 -6.779 -6.112 -6.895 1.00 0.98 C ATOM 1543 O GLN A 99 -6.882 -4.970 -6.454 1.00 1.41 O ATOM 1544 CB GLN A 99 -6.128 -6.805 -4.571 1.00 0.98 C ATOM 1545 CG GLN A 99 -5.882 -7.988 -3.628 1.00 1.33 C ATOM 1546 CD GLN A 99 -7.094 -8.913 -3.568 1.00 1.83 C ATOM 1547 OE1 GLN A 99 -7.093 -10.001 -4.127 1.00 2.83 O ATOM 1548 NE2 GLN A 99 -8.164 -8.491 -2.904 1.00 2.56 N ATOM 0 H GLN A 99 -4.104 -7.200 -5.931 1.00 0.91 H new ATOM 0 HA GLN A 99 -6.830 -8.109 -6.137 1.00 0.96 H new ATOM 0 HB2 GLN A 99 -5.334 -6.069 -4.441 1.00 0.98 H new ATOM 0 HB3 GLN A 99 -7.064 -6.316 -4.300 1.00 0.98 H new ATOM 0 HG2 GLN A 99 -5.010 -8.549 -3.965 1.00 1.33 H new ATOM 0 HG3 GLN A 99 -5.655 -7.617 -2.628 1.00 1.33 H new ATOM 0 HE21 GLN A 99 -8.152 -7.582 -2.442 1.00 2.56 H new ATOM 0 HE22 GLN A 99 -8.998 -9.076 -2.856 1.00 2.56 H new ATOM 1557 N ILE A 100 -7.258 -6.450 -8.092 1.00 1.60 N ATOM 1558 CA ILE A 100 -7.994 -5.516 -8.936 1.00 1.78 C ATOM 1559 C ILE A 100 -9.406 -5.293 -8.371 1.00 2.24 C ATOM 1560 O ILE A 100 -10.419 -5.800 -8.859 1.00 3.34 O ATOM 1561 CB ILE A 100 -7.975 -5.957 -10.410 1.00 2.91 C ATOM 1562 CG1 ILE A 100 -8.576 -7.353 -10.664 1.00 4.62 C ATOM 1563 CG2 ILE A 100 -6.532 -5.931 -10.932 1.00 3.53 C ATOM 1564 CD1 ILE A 100 -9.469 -7.322 -11.908 1.00 5.70 C ATOM 0 H ILE A 100 -7.146 -7.378 -8.501 1.00 1.60 H new ATOM 0 HA ILE A 100 -7.496 -4.546 -8.922 1.00 1.78 H new ATOM 0 HB ILE A 100 -8.608 -5.248 -10.943 1.00 2.91 H new ATOM 0 HG12 ILE A 100 -7.777 -8.083 -10.798 1.00 4.62 H new ATOM 0 HG13 ILE A 100 -9.156 -7.671 -9.798 1.00 4.62 H new ATOM 0 HG21 ILE A 100 -6.517 -6.243 -11.976 1.00 3.53 H new ATOM 0 HG22 ILE A 100 -6.134 -4.920 -10.850 1.00 3.53 H new ATOM 0 HG23 ILE A 100 -5.919 -6.612 -10.341 1.00 3.53 H new ATOM 0 HD11 ILE A 100 -9.889 -8.313 -12.079 1.00 5.70 H new ATOM 0 HD12 ILE A 100 -10.277 -6.606 -11.758 1.00 5.70 H new ATOM 0 HD13 ILE A 100 -8.877 -7.024 -12.774 1.00 5.70 H new ATOM 1576 N LYS A 101 -9.483 -4.499 -7.306 1.00 2.59 N ATOM 1577 CA LYS A 101 -10.714 -4.157 -6.624 1.00 3.76 C ATOM 1578 C LYS A 101 -10.650 -2.677 -6.295 1.00 3.81 C ATOM 1579 O LYS A 101 -9.582 -2.075 -6.244 1.00 4.53 O ATOM 1580 CB LYS A 101 -10.873 -5.004 -5.351 1.00 5.34 C ATOM 1581 CG LYS A 101 -11.571 -6.353 -5.592 1.00 6.67 C ATOM 1582 CD LYS A 101 -13.096 -6.276 -5.405 1.00 7.85 C ATOM 1583 CE LYS A 101 -13.830 -5.497 -6.503 1.00 8.27 C ATOM 1584 NZ LYS A 101 -13.746 -6.173 -7.818 1.00 8.52 N ATOM 0 H LYS A 101 -8.661 -4.066 -6.886 1.00 2.59 H new ATOM 0 HA LYS A 101 -11.579 -4.363 -7.254 1.00 3.76 H new ATOM 0 HB2 LYS A 101 -9.888 -5.186 -4.920 1.00 5.34 H new ATOM 0 HB3 LYS A 101 -11.443 -4.436 -4.616 1.00 5.34 H new ATOM 0 HG2 LYS A 101 -11.350 -6.696 -6.603 1.00 6.67 H new ATOM 0 HG3 LYS A 101 -11.162 -7.096 -4.907 1.00 6.67 H new ATOM 0 HD2 LYS A 101 -13.497 -7.289 -5.365 1.00 7.85 H new ATOM 0 HD3 LYS A 101 -13.309 -5.811 -4.442 1.00 7.85 H new ATOM 0 HE2 LYS A 101 -14.877 -5.377 -6.224 1.00 8.27 H new ATOM 0 HE3 LYS A 101 -13.405 -4.496 -6.583 1.00 8.27 H new ATOM 0 HZ1 LYS A 101 -14.365 -5.687 -8.498 1.00 8.52 H new ATOM 0 HZ2 LYS A 101 -12.765 -6.144 -8.161 1.00 8.52 H new ATOM 0 HZ3 LYS A 101 -14.049 -7.163 -7.719 1.00 8.52 H new ATOM 1598 N PHE A 102 -11.825 -2.101 -6.104 1.00 3.85 N ATOM 1599 CA PHE A 102 -12.033 -0.694 -5.864 1.00 4.47 C ATOM 1600 C PHE A 102 -13.327 -0.591 -5.066 1.00 4.15 C ATOM 1601 O PHE A 102 -14.044 -1.583 -4.920 1.00 4.21 O ATOM 1602 CB PHE A 102 -12.130 0.037 -7.211 1.00 5.10 C ATOM 1603 CG PHE A 102 -13.102 -0.589 -8.197 1.00 5.04 C ATOM 1604 CD1 PHE A 102 -14.467 -0.255 -8.152 1.00 6.03 C ATOM 1605 CD2 PHE A 102 -12.645 -1.516 -9.154 1.00 4.94 C ATOM 1606 CE1 PHE A 102 -15.368 -0.828 -9.065 1.00 6.57 C ATOM 1607 CE2 PHE A 102 -13.548 -2.097 -10.064 1.00 5.47 C ATOM 1608 CZ PHE A 102 -14.909 -1.748 -10.022 1.00 6.15 C ATOM 0 H PHE A 102 -12.696 -2.631 -6.114 1.00 3.85 H new ATOM 0 HA PHE A 102 -11.215 -0.234 -5.310 1.00 4.47 H new ATOM 0 HB2 PHE A 102 -12.430 1.069 -7.030 1.00 5.10 H new ATOM 0 HB3 PHE A 102 -11.140 0.068 -7.666 1.00 5.10 H new ATOM 0 HD1 PHE A 102 -14.825 0.446 -7.412 1.00 6.03 H new ATOM 0 HD2 PHE A 102 -11.599 -1.782 -9.190 1.00 4.94 H new ATOM 0 HE1 PHE A 102 -16.414 -0.561 -9.031 1.00 6.57 H new ATOM 0 HE2 PHE A 102 -13.195 -2.811 -10.794 1.00 5.47 H new ATOM 0 HZ PHE A 102 -15.601 -2.187 -10.725 1.00 6.15 H new ATOM 1618 N ILE A 103 -13.641 0.600 -4.573 1.00 4.05 N ATOM 1619 CA ILE A 103 -14.877 0.871 -3.867 1.00 3.84 C ATOM 1620 C ILE A 103 -15.379 2.192 -4.449 1.00 3.78 C ATOM 1621 O ILE A 103 -14.567 3.063 -4.767 1.00 4.09 O ATOM 1622 CB ILE A 103 -14.605 0.819 -2.350 1.00 4.08 C ATOM 1623 CG1 ILE A 103 -15.810 0.356 -1.512 1.00 3.90 C ATOM 1624 CG2 ILE A 103 -14.009 2.127 -1.843 1.00 4.51 C ATOM 1625 CD1 ILE A 103 -16.920 1.390 -1.302 1.00 5.16 C ATOM 0 H ILE A 103 -13.032 1.414 -4.656 1.00 4.05 H new ATOM 0 HA ILE A 103 -15.674 0.139 -3.999 1.00 3.84 H new ATOM 0 HB ILE A 103 -13.856 0.040 -2.209 1.00 4.08 H new ATOM 0 HG12 ILE A 103 -16.244 -0.522 -1.991 1.00 3.90 H new ATOM 0 HG13 ILE A 103 -15.447 0.039 -0.534 1.00 3.90 H new ATOM 0 HG21 ILE A 103 -13.831 2.054 -0.770 1.00 4.51 H new ATOM 0 HG22 ILE A 103 -13.066 2.320 -2.355 1.00 4.51 H new ATOM 0 HG23 ILE A 103 -14.703 2.944 -2.040 1.00 4.51 H new ATOM 0 HD11 ILE A 103 -17.715 0.953 -0.698 1.00 5.16 H new ATOM 0 HD12 ILE A 103 -16.513 2.262 -0.790 1.00 5.16 H new ATOM 0 HD13 ILE A 103 -17.323 1.693 -2.269 1.00 5.16 H new ATOM 1637 N ILE A 104 -16.685 2.318 -4.670 1.00 3.82 N ATOM 1638 CA ILE A 104 -17.295 3.503 -5.249 1.00 3.85 C ATOM 1639 C ILE A 104 -18.419 3.951 -4.329 1.00 4.89 C ATOM 1640 O ILE A 104 -19.040 3.112 -3.683 1.00 5.79 O ATOM 1641 CB ILE A 104 -17.841 3.223 -6.662 1.00 3.77 C ATOM 1642 CG1 ILE A 104 -18.692 1.939 -6.731 1.00 4.40 C ATOM 1643 CG2 ILE A 104 -16.687 3.144 -7.669 1.00 3.99 C ATOM 1644 CD1 ILE A 104 -19.823 2.078 -7.754 1.00 5.48 C ATOM 0 H ILE A 104 -17.357 1.584 -4.446 1.00 3.82 H new ATOM 0 HA ILE A 104 -16.543 4.286 -5.345 1.00 3.85 H new ATOM 0 HB ILE A 104 -18.498 4.054 -6.918 1.00 3.77 H new ATOM 0 HG12 ILE A 104 -18.058 1.094 -6.998 1.00 4.40 H new ATOM 0 HG13 ILE A 104 -19.112 1.724 -5.748 1.00 4.40 H new ATOM 0 HG21 ILE A 104 -17.085 2.946 -8.664 1.00 3.99 H new ATOM 0 HG22 ILE A 104 -16.145 4.090 -7.677 1.00 3.99 H new ATOM 0 HG23 ILE A 104 -16.009 2.340 -7.383 1.00 3.99 H new ATOM 0 HD11 ILE A 104 -20.405 1.157 -7.780 1.00 5.48 H new ATOM 0 HD12 ILE A 104 -20.470 2.908 -7.471 1.00 5.48 H new ATOM 0 HD13 ILE A 104 -19.400 2.268 -8.741 1.00 5.48 H new ATOM 1656 N ASN A 105 -18.689 5.259 -4.326 1.00 5.42 N ATOM 1657 CA ASN A 105 -19.716 5.908 -3.522 1.00 6.81 C ATOM 1658 C ASN A 105 -19.294 5.926 -2.051 1.00 7.78 C ATOM 1659 O ASN A 105 -19.374 4.913 -1.361 1.00 8.02 O ATOM 1660 CB ASN A 105 -21.083 5.247 -3.753 1.00 7.19 C ATOM 1661 CG ASN A 105 -22.213 6.207 -3.421 1.00 8.75 C ATOM 1662 OD1 ASN A 105 -22.199 7.352 -3.851 1.00 9.40 O ATOM 1663 ND2 ASN A 105 -23.226 5.757 -2.695 1.00 9.78 N ATOM 0 H ASN A 105 -18.174 5.918 -4.910 1.00 5.42 H new ATOM 0 HA ASN A 105 -19.825 6.947 -3.833 1.00 6.81 H new ATOM 0 HB2 ASN A 105 -21.166 4.927 -4.792 1.00 7.19 H new ATOM 0 HB3 ASN A 105 -21.168 4.352 -3.136 1.00 7.19 H new ATOM 0 HD21 ASN A 105 -24.014 6.369 -2.485 1.00 9.78 H new ATOM 0 HD22 ASN A 105 -23.217 4.798 -2.346 1.00 9.78 H new ATOM 1670 N SER A 106 -18.815 7.076 -1.581 1.00 8.84 N ATOM 1671 CA SER A 106 -18.268 7.262 -0.245 1.00 10.24 C ATOM 1672 C SER A 106 -19.074 8.325 0.484 1.00 11.39 C ATOM 1673 O SER A 106 -18.864 8.450 1.707 1.00 12.66 O ATOM 1674 CB SER A 106 -16.799 7.681 -0.353 1.00 10.79 C ATOM 1675 OG SER A 106 -16.653 8.706 -1.321 1.00 10.83 O ATOM 1676 OXT SER A 106 -19.814 9.044 -0.222 1.00 11.28 O ATOM 0 H SER A 106 -18.798 7.929 -2.140 1.00 8.84 H new ATOM 0 HA SER A 106 -18.327 6.330 0.316 1.00 10.24 H new ATOM 0 HB2 SER A 106 -16.441 8.031 0.615 1.00 10.79 H new ATOM 0 HB3 SER A 106 -16.187 6.822 -0.627 1.00 10.79 H new ATOM 0 HG SER A 106 -15.710 8.968 -1.381 1.00 10.83 H new TER 1682 SER A 106